Geometry & MOs

Info

ID:	333026
PubChem CID:	127251450
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	406.180504
ΔH_f, kcal/mol:	0.13
Dipole, Da:	4.54
IP(EA), eV:	-9.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3-fluorophenyl)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

DOS

IR

Vibrations