Geometry & MOs

Info

ID:	89536
PubChem CID:	49962299
Reduced:	BrNOH16C18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	314.998447
ΔH_f, kcal/mol:	26.03
Dipole, Da:	3.63
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCCNC3=CC=C(C=C3)Br

DOS

IR

Vibrations