Geometry & MOs

Info

ID:	185001
PubChem CID:	77239296
Reduced:	NO5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	310.165448
ΔH_f, kcal/mol:	-142.43
Dipole, Da:	7.86
IP(EA), eV:	-9.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-(methoxymethyl)-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)COC)C[N+](=O)[O-]

DOS

IR

Vibrations