Geometry & MOs

Info

ID:	400026
PubChem CID:	135044623
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	5.37
IP(EA), eV:	-9.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8aS)-1-[(E)-but-1-enyl]-1,5,6,7,8,8a-hexahydronaphthalene-2-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1C[C@H]([C@@H]1C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations