Geometry & MOs

Info

ID:

316094

PubChem CID:

126630063

Reduced:

N2C163H212 (1)

Stoich.:

A2B163C212 (1)

Weight, g/mol:

344.173607

ΔHf, kcal/mol:

-47.42

Dipole, Da:

1.62

IP(EA), eV:

 -7.83(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2,2-dimethyl-3-(6-propylisoquinolin-3-yl)oxypropanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC(=C(C=C5CCCCCC)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC1=C(C=C9)C2=C(C1(CCCCCCCC)CCCCCCCC)C=C(C=C2)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C(C=C(C(=C1)CCCCCC)C1=CC2=C(C=C1)C1=C(C2(CCCCCCCC)CCCCCCCC)C=C(C=C1)C(C)CC)CCCCCC)CCCCCC)CCCCCCCC

DOS

IR

Vibrations