Geometry & MOs

Info

ID:	373123
PubChem CID:	131310363
Reduced:	IN2F3O3H4C7 (1)
Stoich.:	AB2C3D3E4F7 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	-229.12
Dipole, Da:	6.35
IP(EA), eV:	-9.45(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(chloromethyl)-4-(difluoromethoxy)-3-methoxybenzene

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)OC(F)(F)F)C(=O)O)I)N

DOS

IR

Vibrations