Geometry & MOs

Info

ID:	73249
PubChem CID:	48417280
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	320.073182
ΔH_f, kcal/mol:	22.97
Dipole, Da:	5.29
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations