Geometry & MOs

Info

ID:	332358
PubChem CID:	127250644
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-25.03
Dipole, Da:	3.44
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-2-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)OC)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(N=C4)N

DOS

IR

Vibrations