Geometry & MOs

Info

ID:	374575
PubChem CID:	131331675
Reduced:	BrNOF2C8H8 (1)
Stoich.:	ABCD2E8F8 (1)
Weight, g/mol:	250.97573
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	6.08
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC(F)F)Br)N

DOS

IR

Vibrations