Geometry & MOs

Info

ID:	331855
PubChem CID:	127250141
Reduced:	ON2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	358.144806
ΔH_f, kcal/mol:	-12.33
Dipole, Da:	1.37
IP(EA), eV:	-8.53(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCOC(C1)C2=NC=C(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations