Geometry & MOs

Info

ID:

316235

PubChem CID:

126630428

Reduced:

N3H35C53 (1)

Stoich.:

A3B35C53 (1)

Weight, g/mol:

369.194008

ΔHf, kcal/mol:

233.67

Dipole, Da:

2.49

IP(EA), eV:

 -7.82(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-hydroxy-1-[(E)-2-[2-[(1R)-1-hydroxyethyl]quinolin-7-yl]ethenyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC=C9)C2=CC=CC=C2)C2=C1C1=CC=CC=C1C=C2

DOS

IR

Vibrations