Geometry & MOs

Info

ID:	255536
PubChem CID:	103132778
Reduced:	ON3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	44.99
Dipole, Da:	5.57
IP(EA), eV:	-8.21(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-methyl-4-(2-methyl-1H-pyrazol-5-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN1C=C/C(=C\2/C(=O)C=CC=N2)/N1

DOS

IR

Vibrations