Geometry & MOs

Info

ID:	371916
PubChem CID:	131279821
Reduced:	FIO2C8H8 (1)
Stoich.:	ABC2D8E8 (1)
Weight, g/mol:	300.95753
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	3.48
IP(EA), eV:	-9.6(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-4-methyl-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)F)I)CO

DOS

IR

Vibrations