Geometry & MOs

Info

ID:	12644
PubChem CID:	142537
Reduced:	N2O2F3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	234.061612
ΔH_f, kcal/mol:	-142.29
Dipole, Da:	10.64
IP(EA), eV:	-9.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-nitro-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations