Geometry & MOs

Info

ID:	332138
PubChem CID:	127250424
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	9.05
Dipole, Da:	2.3
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations