Geometry & MOs

Info

ID:	73118
PubChem CID:	48417029
Reduced:	SO3N5C15H15 (1)
Stoich.:	AB3C5D15E15 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	7.2
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-cyclopent-2-en-1-ylacetyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations