Geometry & MOs

Info

ID:	73299
PubChem CID:	48417393
Reduced:	SO2N5C9H9 (1)
Stoich.:	AB2C5D9E9 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	1.73
Dipole, Da:	4.31
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(=O)N(CS1)CC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations