Geometry & MOs

Info

ID:	240324
PubChem CID:	93576924
Reduced:	BrO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	1.43
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CN2C3=CC=CC=C3N=C2C4=CC(=CC=C4)Br

DOS

IR

Vibrations