Geometry & MOs

Info

ID:	331836
PubChem CID:	127250122
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	6.66
IP(EA), eV:	-9.32(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[6-[(4-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CNC(=O)N(C1=O)CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations