Geometry & MOs

Info

ID:	315227
PubChem CID:	126625130
Reduced:	NO3H37C45 (1)
Stoich.:	AB3C37D45 (1)
Weight, g/mol:	288.139326
ΔH_f, kcal/mol:	79.3
Dipole, Da:	2.37
IP(EA), eV:	-8.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chloroanilino)ethyl]-N-propan-2-ylaniline

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C2=CC=C(C=C2)N(C3=CC=C(C=C3)/C=C/C4=CC(=CC=C4)OC)C5=CC=C(C=C5)/C=C/C6=CC(=CC=C6)C=O

DOS

IR

Vibrations