Geometry & MOs

Info

ID:	374689
PubChem CID:	131342459
Reduced:	FNC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	266.93426
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	3.3
IP(EA), eV:	-9.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)F)F)C(C#N)N

DOS

IR

Vibrations