Geometry & MOs

Info

ID:	333017
PubChem CID:	127251441
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	421.155705
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	3.95
IP(EA), eV:	-8.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3=CC=CC=N3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations