Geometry & MOs

Info

ID:	179030
PubChem CID:	76423370
Reduced:	ClON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	374.206639
ΔH_f, kcal/mol:	-16.19
Dipole, Da:	4.91
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(6-morpholin-4-ylpyrimidin-4-yl)piperidine-1-carbonyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1(CCN(CC1CC2=CC=CC=C2)C3=NC=C(C=C3)Cl)O

DOS

IR

Vibrations