Geometry & MOs

Info

ID:	374087
PubChem CID:	131323582
Reduced:	BrNF2O2C8H8 (1)
Stoich.:	ABC2D2E8F8 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	4.42
IP(EA), eV:	-9.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-2-chloro-5-(difluoromethoxy)-4-methoxybenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)N)OC(F)F

DOS

IR

Vibrations