Geometry & MOs

Info

ID:	325821
PubChem CID:	126685147
Reduced:	IO2H9F12C24 (1)
Stoich.:	AB2C9D12E24 (1)
Weight, g/mol:	379.04331
ΔH_f, kcal/mol:	-612.79
Dipole, Da:	2.16
IP(EA), eV:	-10.22(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(butylamino)phenyl]-(4-iodophenyl)methanone

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)I)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations