Geometry & MOs

Info

ID:	333685
PubChem CID:	127252237
Reduced:	ClN2O2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	1.72
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(2-phenylacetyl)morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations