Geometry & MOs

Info

ID:	182874
PubChem CID:	76948234
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	293.066363
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	5.55
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitro-2-phenylethenyl)-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)NCCC(=NO)N

DOS

IR

Vibrations