Geometry & MOs

Info

ID:	89511
PubChem CID:	49962213
Reduced:	NOCl2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	398.933202
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	3.81
IP(EA), eV:	-8.89(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,5-trichloro-N-[2-(2,4-dichlorophenoxy)propyl]aniline

Drug info:

PubChemData

Smile

CC(CNCCC1=CCCCC1)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations