Geometry & MOs

Info

ID:	73207
PubChem CID:	48417203
Reduced:	OCl2N4H8C12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	240.101111
ΔH_f, kcal/mol:	37.84
Dipole, Da:	5.73
IP(EA), eV:	-9.38(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-ethylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CC(=O)N2C(=C(C=N2)C#N)N)Cl

DOS

IR

Vibrations