Geometry & MOs

Info

ID:	292879
PubChem CID:	117362318
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	20.94
Dipole, Da:	2.88
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(3-amino-2-methyl-1H-pyrazol-5-ylidene)-5-methoxy-4-oxocyclohexa-1,5-diene-1-carbonitrile

Drug info:

PubChemData

Smile

C1CON(C1=O)C2=CC=C(C=C2)C3=C(NN=C3)N

DOS

IR

Vibrations