Geometry & MOs

Info

ID:	419461
PubChem CID:	135108239
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	5.46
IP(EA), eV:	-8.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(furan-3-ylmethyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=C(C=CC=N1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations