Geometry & MOs

Info

ID:	332701
PubChem CID:	127250987
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	4.09
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations