Geometry & MOs

Info

ID:	261031
PubChem CID:	103215206
Reduced:	ClINOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	424.96551
ΔH_f, kcal/mol:	10.6
Dipole, Da:	2.4
IP(EA), eV:	-8.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations