Geometry & MOs

Info

ID:	243713
PubChem CID:	99234265
Reduced:	ClN2O2C23H35 (1)
Stoich.:	AB2C2D23E35 (1)
Weight, g/mol:	406.238706
ΔH_f, kcal/mol:	-113.66
Dipole, Da:	4.11
IP(EA), eV:	-8.64(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CCCCNC(=O)C2(CCOCC2)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations