Geometry & MOs

Info

ID:	240320
PubChem CID:	93576920
Reduced:	BrON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	385.07897
ΔH_f, kcal/mol:	15.15
Dipole, Da:	5.59
IP(EA), eV:	-9.18(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN1C2=CC=CC=C2N=C1C3=CC(=CC=C3)Br

DOS

IR

Vibrations