Geometry & MOs

Info

ID:	395604
PubChem CID:	135025965
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-99.07
Dipole, Da:	3.62
IP(EA), eV:	-8.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-8-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one

Drug info:

PubChemData

Smile

CC1=C[C@@H](OC1=O)O/C=C(/C)\C=C\C2=CCCCC2(C)C

DOS

IR

Vibrations