Geometry & MOs

Info

ID:	28417
PubChem CID:	827460
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	5.67
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4aS,8aR)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2OC

DOS

IR

Vibrations