Geometry & MOs

Info

ID:	181782
PubChem CID:	76791811
Reduced:	ClN2C30H47 (1)
Stoich.:	AB2C30D47 (1)
Weight, g/mol:	448.285656
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	2.49
IP(EA), eV:	-8.45(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-chlorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide

Drug info:

PubChemData

Smile

CC(C)C(CN1CCC(C(C1)(C)C)C2=CC=C(C=C2)Cl)NCCC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations