Geometry & MOs

Info

ID:	48205
PubChem CID:	10537902
Reduced:	OSN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	238.135765
ΔH_f, kcal/mol:	12.28
Dipole, Da:	5.08
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-1,5-dimethyl-7-(4-methylphenyl)bicyclo[3.2.1]octa-3,6-dien-2-one

Drug info:

PubChemData

Smile

CN=C(N)NC(=S)NC1=CC=C(C=C1)OC

DOS

IR

Vibrations