Geometry & MOs

Info

ID:	66106
PubChem CID:	46493480
Reduced:	NSO3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	-84.89
Dipole, Da:	5.4
IP(EA), eV:	-8.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1C2=CC(=C(C=C2)OC)OC)SCC3=CC=CC=C3

DOS

IR

Vibrations