Geometry & MOs

Info

ID:	374026
PubChem CID:	131322609
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	-10.9
Dipole, Da:	5.86
IP(EA), eV:	-9.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=CC(=C(N2)C(=O)O)C3=CSC=N3

DOS

IR

Vibrations