Geometry & MOs

Info

ID:	332166
PubChem CID:	127250452
Reduced:	FO2N3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	407.140055
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	6.77
IP(EA), eV:	-8.81(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[(2-chlorophenyl)methyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=C(C=C2)F)C3=CC=CC(=N3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations