Geometry & MOs

Info

ID:	73220
PubChem CID:	48417223
Reduced:	ON7C17H17 (1)
Stoich.:	AB7C17D17 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	75.7
Dipole, Da:	7.1
IP(EA), eV:	-9.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2-methylpropanoyl)piperidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)N3CCCCCC3=N2)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations