Geometry & MOs

Info

ID:	185000
PubChem CID:	77239295
Reduced:	NO5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	311.173273
ΔH_f, kcal/mol:	-133.09
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755830
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(methoxymethyl)-6-(nitromethyl)-6-bicyclo[3.2.0]hept-3-enyl]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations