Geometry & MOs

Info

ID:	392479
PubChem CID:	135016875
Reduced:	SO2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	5.93
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(2-methoxyphenyl)-2-nitroprop-2-enyl]-1,4-dimethylbenzene

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C2=CC=C(S2)C(=O)C

DOS

IR

Vibrations