Geometry & MOs

Info

ID:	325822
PubChem CID:	126685149
Reduced:	INOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	547.9708
ΔH_f, kcal/mol:	14.4
Dipole, Da:	6.66
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-iodo-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CCCCNC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations