Geometry & MOs

Info

ID:	331859
PubChem CID:	127250145
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	12.91
Dipole, Da:	2.06
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=NC=CN=C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations