Geometry & MOs

Info

ID:	297763
PubChem CID:	117629411
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	441.205242
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	5.57
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(benzimidazol-1-yl)phenyl]methyl]-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinoline-6-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)NCC3=CC(=C(C(=C3)OC)OC)OC)NC=N2

DOS

IR

Vibrations