Geometry & MOs

Info

ID:	290479
PubChem CID:	104623836
Reduced:	NC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	72.3
Dipole, Da:	6.82
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-oxopiperidin-1-yl)sulfonylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)C1(CC1)CNC2=NC(=NC3=C2NC=N3)N

DOS

IR

Vibrations