Geometry & MOs

Info

ID:	374694
PubChem CID:	131342474
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	266.93426
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	6.15
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(difluoromethyl)-5-nitrophenol

Drug info:

PubChemData

Smile

CC(=CC1=CC(=CC=C1)NC(=O)C)C=O

DOS

IR

Vibrations