Geometry & MOs

Info

ID:	141003
PubChem CID:	52798847
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	467.06447
ΔH_f, kcal/mol:	-74.41
Dipole, Da:	3.88
IP(EA), eV:	-9.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(4-bromo-2-fluorophenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NCC3=CC=C(C=C3)CN4C=NC5=CC=CC=C54

DOS

IR

Vibrations