Geometry & MOs

Info

ID:	144157
PubChem CID:	53323497
Reduced:	O2C14H17 (2)
Stoich.:	A2B14C17 (2)
Weight, g/mol:	459.346092
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	1.72
IP(EA), eV:	-9.34(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]hexyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@]3(CC[C@@]4(C(C3=C(C[C@]2(CC1=O)C)C)C(=O)C=C5C4=CC(=O)C(=C5C)O)C)C

DOS

IR

Vibrations