Geometry & MOs

Info

ID:	333028
PubChem CID:	127251452
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	4.78
IP(EA), eV:	-8.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(3-chlorophenyl)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)OC

DOS

IR

Vibrations