Geometry & MOs

Info

ID:	240311
PubChem CID:	93576899
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	4.94
IP(EA), eV:	-8.2(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-(2-phenylbenzimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)NC[C@H]4CCCO4)OC

DOS

IR

Vibrations