Geometry & MOs

Info

ID:	31048
PubChem CID:	854296
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	153.090212
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	5.92
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1OCC)OC(=O)C=C2C

DOS

IR

Vibrations