Geometry & MOs

Info

ID:	168787
PubChem CID:	75018787
Reduced:	O5N6C42H54 (1)
Stoich.:	A5B6C42D54 (1)
Weight, g/mol:	480.160456
ΔH_f, kcal/mol:	-164.82
Dipole, Da:	7.13
IP(EA), eV:	-9.21(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzylbenzoyl)-N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CC(CC2=CC=CC=C2)NC(=O)OCC3=CN=CC=C3)O)NC(=O)N(C)CC4=NC(=CC=C4)C(C)(C)C

DOS

IR

Vibrations