Geometry & MOs

Info

ID:	73228
PubChem CID:	48417237
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	374.079724
ΔH_f, kcal/mol:	7.71
Dipole, Da:	4.87
IP(EA), eV:	-9.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCCCC(=O)N1C(=C(C=N1)C#N)N

DOS

IR

Vibrations