Geometry & MOs

Info

ID:	374573
PubChem CID:	131331667
Reduced:	BrNOF2C8H8 (1)
Stoich.:	ABCD2E8F8 (1)
Weight, g/mol:	250.97573
ΔH_f, kcal/mol:	-132.73
Dipole, Da:	3.51
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(difluoromethoxy)-4-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)OC(F)F)N

DOS

IR

Vibrations