Geometry & MOs

Info

ID:	374220
PubChem CID:	131325572
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	235.045628
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	5.27
IP(EA), eV:	-10.63(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methyl-3-nitro-2-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CBr)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations