Geometry & MOs

Info

ID:	217636
PubChem CID:	85088143
Reduced:	NOC27H29 (1)
Stoich.:	ABC27D29 (1)
Weight, g/mol:	383.21303
ΔH_f, kcal/mol:	25.33
Dipole, Da:	4.32
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(5-cyclobutyl-3-hydroxypent-1-enyl)-6-oxopiperidin-1-yl]ethylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CC1CCCN1CCC2=CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)C(=O)C5CC5

DOS

IR

Vibrations