Geometry & MOs

Info

ID:	23433
PubChem CID:	603483
Reduced:	NO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	231.050713
ΔH_f, kcal/mol:	-134.99
Dipole, Da:	3.83
IP(EA), eV:	-10.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitroprop-2-enyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C=C(CC1=CC(=CC=C1)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations