Geometry & MOs

Info

ID:	168619
PubChem CID:	74996025
Reduced:	Cl2O3N5C24H24 (1)
Stoich.:	A2B3C5D24E24 (1)
Weight, g/mol:	547.200462
ΔH_f, kcal/mol:	-26.74
Dipole, Da:	2.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.971665
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-[(2-oxopiperidin-4-yl)methyl]piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C1COC2=C(CNC(=O)C[N+]3=C(C=NC(=NC(CN1)CC4=CC=CC=C4)C3=O)Cl)C=C(C=C2)Cl

DOS

IR

Vibrations