Geometry & MOs

Info

ID:	332783
PubChem CID:	127251093
Reduced:	O3N4H20C22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	409.119319
ΔH_f, kcal/mol:	-20.94
Dipole, Da:	4.02
IP(EA), eV:	-9.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(3-chlorophenyl)pyrazin-2-yl]morpholin-4-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC=C2)C3=NC=CN=C3C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations