Geometry & MOs

Info

ID:	332223
PubChem CID:	127250509
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	18.87
Dipole, Da:	1.91
IP(EA), eV:	-8.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations