Geometry & MOs

Info

ID:	333206
PubChem CID:	127251754
Reduced:	ON6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	30.19
Dipole, Da:	2.33
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCOC(C1)C2=CN=CC(=N2)NC3=NC=CC=N3

DOS

IR

Vibrations