Geometry & MOs

Info

ID:	261044
PubChem CID:	103215522
Reduced:	NOF3C15H28 (1)
Stoich.:	ABC3D15E28 (1)
Weight, g/mol:	433.98135
ΔH_f, kcal/mol:	-251.74
Dipole, Da:	3.22
IP(EA), eV:	-8.98(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-iodophenyl)-2-(3-chloropyridin-4-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(COCC(F)(F)F)C1CCCC(C1)CC

DOS

IR

Vibrations