Geometry & MOs

Info

ID:	243714
PubChem CID:	99234266
Reduced:	ClN2O2C23H35 (1)
Stoich.:	AB2C2D23E35 (1)
Weight, g/mol:	406.238706
ΔH_f, kcal/mol:	-111.9
Dipole, Da:	4.15
IP(EA), eV:	-8.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorophenyl)-N-[4-[(3R,5R)-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