Geometry & MOs

Info

ID:	333224
PubChem CID:	127251772
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	26.2
Dipole, Da:	4.07
IP(EA), eV:	-8.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCC2=C1)CN3CCOC(C3)C4=CN=CC(=N4)NC5=NC=CC=N5

DOS

IR

Vibrations