Geometry & MOs

Info

ID:	333690
PubChem CID:	127252242
Reduced:	ClN2O2H23C24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	1.13
IP(EA), eV:	-9.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCC2=CC=CC=C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations