Geometry & MOs

Info

ID:	371924
PubChem CID:	131280087
Reduced:	BrClFOH7C9 (1)
Stoich.:	ABCDE7F9 (1)
Weight, g/mol:	302.9368
ΔH_f, kcal/mol:	-72.28
Dipole, Da:	2.92
IP(EA), eV:	-9.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-iodo-2-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C(=O)CCl)Br)F

DOS

IR

Vibrations