Geometry & MOs

Info

ID:	189493
PubChem CID:	77865550
Reduced:	NO4C16H27 (1)
Stoich.:	AB4C16D27 (1)
Weight, g/mol:	586.259835
ΔH_f, kcal/mol:	-212.24
Dipole, Da:	1.98
IP(EA), eV:	-9.8(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[2-[4-(4-chlorophenyl)-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]carbamoyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)C=CCCC1COC(N1C(=O)OC(C)(C)C)(C)C

DOS

IR

Vibrations