Geometry & MOs

Info

ID:	73359
PubChem CID:	48417517
Reduced:	SO3N4C14H14 (1)
Stoich.:	AB3C4D14E14 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	6.57
IP(EA), eV:	-9.56(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(2-oxoazocan-1-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations