Geometry & MOs

Info

ID:	130937
PubChem CID:	51132230
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	456.111981
ΔH_f, kcal/mol:	44.83
Dipole, Da:	2.9
IP(EA), eV:	-8.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

COC(C1=CC=CC=C1)C(=O)NC2=CN(N=C2)CC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations