Geometry & MOs

Info

ID:	423190
PubChem CID:	135119069
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	6.24
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)CC4=CN=CN4)OC

DOS

IR

Vibrations