Geometry & MOs

Info

ID:	73197
PubChem CID:	48417186
Reduced:	ClON4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	46.26
Dipole, Da:	2.79
IP(EA), eV:	-9.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)N2C(=C(C=N2)C#N)N)Cl

DOS

IR

Vibrations