Geometry & MOs

Info

ID:	331923
PubChem CID:	127250209
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	1.83
IP(EA), eV:	-9.39(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[5-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NC=C(C=C2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations