Geometry & MOs

Info

ID:	123166
PubChem CID:	50836103
Reduced:	OS2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	485.279075
ΔH_f, kcal/mol:	8.6
Dipole, Da:	7.2
IP(EA), eV:	-8.68(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SC2=NC=CN=C2SCC(=O)N3CCC(CC3)N4CCCCC4

DOS

IR

Vibrations