Geometry & MOs

Info

ID:	43337
PubChem CID:	10321150
Reduced:	PS3O5C17H31 (1)
Stoich.:	AB3C5D17E31 (1)
Weight, g/mol:	442.262028
ΔH_f, kcal/mol:	-343.68
Dipole, Da:	7.37
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-(3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)OC[C@H](COP1(=S)SCCS1)OC(=O)CCCCC

DOS

IR

Vibrations