Geometry & MOs

Info

ID:	373038
PubChem CID:	131308917
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	4.42
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-amino-2-methyl-1H-pyrazol-5-ylidene)-4-ethylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=C(C=C1)N(C)C)C=O

DOS

IR

Vibrations