Geometry & MOs

Info

ID:	331655
PubChem CID:	127249738
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	2.97
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[2-[6-(pyrimidin-2-ylamino)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CCOC

DOS

IR

Vibrations