Geometry & MOs

Info

ID:	297785
PubChem CID:	117630717
Reduced:	F2N2O7H28C30 (1)
Stoich.:	A2B2C7D28E30 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-302.95
Dipole, Da:	9.6
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(benzimidazol-1-yl)phenyl]methyl]-5,6,7-trimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)O[C@H]4[C@@H]([C@@H](O[C@@]4(CO)F)N5C=CC(=O)NC5=O)F

DOS

IR

Vibrations