Geometry & MOs

Info

ID:	141863
PubChem CID:	52941526
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	629.1543
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	4.71
IP(EA), eV:	-8.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CN(C)CC(CN1C2=C(C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=CC=C4)C=N1)O

DOS

IR

Vibrations