Geometry & MOs

Info

ID:	181777
PubChem CID:	76791692
Reduced:	ClN2O3C28H35 (1)
Stoich.:	AB2C3D28E35 (1)
Weight, g/mol:	409.195462
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	1.85
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-2-(1,3-thiazolidin-2-ylamino)butan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC(=C3)CC(=O)C(C)C

DOS

IR

Vibrations