Geometry & MOs

Info

ID:	416222
PubChem CID:	135089232
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	4.68
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations