Geometry & MOs

Info

ID:	73012
PubChem CID:	48416801
Reduced:	S2O3N5C15H17 (1)
Stoich.:	A2B3C5D15E17 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-26.22
Dipole, Da:	7.04
IP(EA), eV:	-9.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-cyclohexylbutanoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations