Geometry & MOs

Info

ID:	333027
PubChem CID:	127251451
Reduced:	FO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-48.93
Dipole, Da:	4.49
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NC=C(N=C3)C)CC4=CC(=CC=C4)F

DOS

IR

Vibrations