Geometry & MOs

Info

ID:	270311
PubChem CID:	103636019
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	10.05
Dipole, Da:	0.43
IP(EA), eV:	-9.92(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutyl)-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N(CCC#N)C(C)C

DOS

IR

Vibrations