Geometry & MOs

Info

ID:	331389
PubChem CID:	127248796
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	3.04
IP(EA), eV:	-8.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-2-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CN3CCOCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations