Geometry & MOs

Info

ID:	403678
PubChem CID:	135061351
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	4.09
IP(EA), eV:	-8.78(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-2-tert-butyl-6-ethenyl-7-hexyl-2-azabicyclo[3.2.0]hept-6-ene-3,4-dione

Drug info:

PubChemData

Smile

CCCCCCC1=C([C@@H](C1)C(=O)N(C)C)C=C

DOS

IR

Vibrations