Geometry & MOs

Info

ID:

446520

PubChem CID:

135275639

Reduced:

O3N4C31H38 (1)

Stoich.:

A3B4C31D38 (1)

Weight, g/mol:

529.30529

ΔHf, kcal/mol:

-82.18

Dipole, Da:

7.06

IP(EA), eV:

 -8.5(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-3-[2-(3,4-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-N-hydroxy-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(C2=CC3=C(CCN(C3)C(=O)C4=CC(=C(C=C4)C)C)C=C2)[C@@H](C)C(=O)O)C)N)N

DOS

IR

Vibrations