Geometry & MOs

Info

ID:	446528
PubChem CID:	135275679
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	500.278741
ΔH_f, kcal/mol:	-15.47
Dipole, Da:	3.49
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-amino-4-[ethyl(methylamino)amino]-2-methylphenyl]-3-[2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=NC2=C(CCN(C2)CC3=CC=CC=C3)C=C1

DOS

IR

Vibrations