Geometry & MOs

Info

ID:	332326
PubChem CID:	127250612
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	10.7
Dipole, Da:	0.42
IP(EA), eV:	-8.65(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=N1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations