Geometry & MOs

Info

ID:	374571
PubChem CID:	131331645
Reduced:	ISO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	250.97573
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	2.88
IP(EA), eV:	-9.53(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(difluoromethoxy)-6-methylaniline

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2C(=O)O)I)C=O

DOS

IR

Vibrations