Geometry & MOs

Info

ID:	28062
PubChem CID:	825364
Reduced:	OSN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	17.3
Dipole, Da:	3.36
IP(EA), eV:	-9.01(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-1-hydroxy-5,5,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-3-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations