Geometry & MOs

Info

ID:	415555
PubChem CID:	135088551
Reduced:	ON4C21H32 (1)
Stoich.:	AB4C21D32 (1)
Weight, g/mol:	367.178358
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	4.2
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCC(C2)CNC3=C(C=CC=N3)C(=O)N4CCCC4

DOS

IR

Vibrations