Geometry & MOs

Info

ID:	374572
PubChem CID:	131331663
Reduced:	BrNOF2C8H8 (1)
Stoich.:	ABCD2E8F8 (1)
Weight, g/mol:	250.97573
ΔH_f, kcal/mol:	-128.92
Dipole, Da:	5.27
IP(EA), eV:	-9.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(difluoromethoxy)-2-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N)OC(F)F)Br

DOS

IR

Vibrations