Geometry & MOs

Info

ID:	27155
PubChem CID:	816746
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	209.05105
ΔH_f, kcal/mol:	10.14
Dipole, Da:	2.62
IP(EA), eV:	-9.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)C2=CC=CC=N2)C

DOS

IR

Vibrations