Geometry & MOs

Info

ID:	408275
PubChem CID:	135081039
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	123.068414
ΔH_f, kcal/mol:	40.3
Dipole, Da:	3.9
IP(EA), eV:	-9.7(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-methyl-2-azabicyclo[2.2.1]hept-5-en-3-one

Drug info:

PubChemData

Smile

C=CC1CC(N(C1=O)CC#C)C=C

DOS

IR

Vibrations