Geometry & MOs

Info

ID:	184999
PubChem CID:	77239294
Reduced:	NO5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	296.149798
ΔH_f, kcal/mol:	-153.82
Dipole, Da:	1.44
IP(EA), eV:	-10.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-(hydroxymethyl)-6-(nitromethyl)-6-bicyclo[3.2.0]hept-3-enyl]-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)O)C1(CC2C1C=C(C2)CO)C[N+](=O)[O-]

DOS

IR

Vibrations