Geometry & MOs

Info

ID:

446519

PubChem CID:

135275629

Reduced:

O3N4C31H38 (1)

Stoich.:

A3B4C31D38 (1)

Weight, g/mol:

514.294391

ΔHf, kcal/mol:

-71.47

Dipole, Da:

5.82

IP(EA), eV:

 -8.28(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(CC(=O)OCC)C2=CC3=C(CC(N(C3)C(=O)C4=CC=CC=C4)C)C=C2)C)N)N

DOS

IR

Vibrations