Geometry & MOs

Info

ID:	408017
PubChem CID:	135080772
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-140.46
Dipole, Da:	2.59
IP(EA), eV:	-10.25(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2-methylidenebut-3-enyl)-2-azabicyclo[2.2.1]hept-5-en-3-one

Drug info:

PubChemData

Smile

COC(=O)C(CC=O)C1CCCC1

DOS

IR

Vibrations