Geometry & MOs

Info

ID:	332224
PubChem CID:	127250510
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	17.63
Dipole, Da:	4.82
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[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(=CC=C4)C(=O)N

DOS

IR

Vibrations