Geometry & MOs

Info

ID:	81173
PubChem CID:	49854430
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	6.53
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(4-carbamoyl-1H-benzimidazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)CC3=NC(=CC(=O)N3C)N4CCOCC4

DOS

IR

Vibrations