Geometry & MOs

Info

ID:	333221
PubChem CID:	127251769
Reduced:	O3N6C14H16 (1)
Stoich.:	A3B6C14D16 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	2.84
IP(EA), eV:	-9.0(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-methyl-1-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CO)C2=CN=CC(=N2)NC3=NC=CC=N3

DOS

IR

Vibrations