Geometry & MOs

Info

ID:	240323
PubChem CID:	93576923
Reduced:	BrON3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	413.07389
ΔH_f, kcal/mol:	53.62
Dipole, Da:	3.15
IP(EA), eV:	-9.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromophenyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=CC(=CC=C4)Br

DOS

IR

Vibrations