Geometry & MOs

Info

ID:	123167
PubChem CID:	50836138
Reduced:	O2N5C29H35 (1)
Stoich.:	A2B5C29D35 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	-0.74
Dipole, Da:	5.23
IP(EA), eV:	-7.9(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)CNC(=O)C3CCCN(C3)C4=NC=CN=C4OC5=CC=CC=C5

DOS

IR

Vibrations