Geometry & MOs

Info

ID:	332016
PubChem CID:	127250302
Reduced:	O2N6H20C23 (1)
Stoich.:	A2B6C20D23 (1)
Weight, g/mol:	394.119654
ΔH_f, kcal/mol:	49.16
Dipole, Da:	3.52
IP(EA), eV:	-9.21(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=C3C=CC=NC3=CC=C2)C4=NC=C(C=C4)C5=CN=C(N=C5)N

DOS

IR

Vibrations