Geometry & MOs

Info

ID:	389699
PubChem CID:	134994512
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	5.48
IP(EA), eV:	-9.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-2,3-dimethyl-4-methylsulfinylbut-2-enyl]aniline

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations