Geometry & MOs

Info

ID:	73183
PubChem CID:	48417161
Reduced:	O3N4H14C15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	-15.41
Dipole, Da:	3.74
IP(EA), eV:	-9.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-methylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations