Geometry & MOs

Info

ID:	12994
PubChem CID:	219853
Reduced:	O3N4C10H12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	8.57
IP(EA), eV:	-9.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-acetamido-4-cyanopyrazol-1-yl)ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=NN1CCOC(=O)C)C#N

DOS

IR

Vibrations