Geometry & MOs

Info

ID:	328157
PubChem CID:	126692306
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	462.134635
ΔH_f, kcal/mol:	-210.56
Dipole, Da:	3.99
IP(EA), eV:	-9.29(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-chlorophenyl)methyl-(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N1CC2=CC=CC=C2CC1CO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations