Geometry & MOs

Info

ID:	126121
PubChem CID:	50952888
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	38.97
Dipole, Da:	7.3
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-4-[2-(3-hydroxypropyl)benzimidazol-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1C(C2=CNNC2=NC1=O)CC3=CC=CC=C3

DOS

IR

Vibrations