Geometry & MOs

Info

ID:	150078
PubChem CID:	53789764
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	427.251129
ΔH_f, kcal/mol:	-52.47
Dipole, Da:	4.66
IP(EA), eV:	-8.32(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1,3-diphenylpropyl] 1-(2-phenylethyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C2=C(C(=C1C)C)N(C(=C(C2=O)C)C)CC)C

DOS

IR

Vibrations