Geometry & MOs

Info

ID:	332196
PubChem CID:	127250482
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	419.16452
ΔH_f, kcal/mol:	-116.48
Dipole, Da:	4.77
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-(4-fluorophenyl)acetyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CC=C2)C3CN(CCO3)CC(=O)N4CCC(CC4)C(=O)N

DOS

IR

Vibrations