Geometry & MOs

Info

ID:	69718
PubChem CID:	47205240
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-10.72
Dipole, Da:	5.99
IP(EA), eV:	-9.52(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)CC(=O)NCC2=CC=NN2

DOS

IR

Vibrations