Geometry & MOs

Info

ID:	218501
PubChem CID:	85089540
Reduced:	NS2O4C25H31 (1)
Stoich.:	AB2C4D25E31 (1)
Weight, g/mol:	473.340613
ΔH_f, kcal/mol:	-145.73
Dipole, Da:	3.4
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(1-cyclohexylethylamino)phenyl]-piperidin-4-ylidenemethyl]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N1C2=CC=CC=C2SC(C(C1=O)OC(=O)CCCCC)C3=CSC=C3

DOS

IR

Vibrations