Geometry & MOs

Info

ID:	331361
PubChem CID:	127248768
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-98.31
Dipole, Da:	2.39
IP(EA), eV:	-8.62(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)COC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations