Geometry & MOs

Info

ID:	310963
PubChem CID:	126588626
Reduced:	ClNO3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	2.77
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(3-chloro-2-methyl-1H-pyrazol-5-ylidene)-2-methylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)NC(=O)OC)COC2=C(C=C(C(=C2)C)CC)Cl

DOS

IR

Vibrations