Geometry & MOs

Info

ID:	40252
PubChem CID:	8143814
Reduced:	BrON3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	385.07897
ΔH_f, kcal/mol:	54.43
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.871536
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenoxy)methyl]-1-(pyrrolidin-1-ylmethyl)benzimidazole

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)Br

DOS

IR

Vibrations