Geometry & MOs

Info

ID:	331475
PubChem CID:	127248882
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	424.222289
ΔH_f, kcal/mol:	-37.28
Dipole, Da:	5.61
IP(EA), eV:	-8.23(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[2-(azetidin-1-yl)-2-oxoethyl]morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC(=O)N3CCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations