Geometry & MOs

Info

ID:	45951
PubChem CID:	10519572
Reduced:	NO2H5C9 (2)
Stoich.:	AB2C5D9 (2)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	27.23
Dipole, Da:	5.99
IP(EA), eV:	-9.83(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,7R,9E,12S,13S,14R)-13-methoxy-6,6,10,14-tetramethyltricyclo[10.3.0.03,7]pentadec-9-ene-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C2=C(C(=O)OC3=CC=CC=C32)C#N)[N+](=O)[O-]

DOS

IR

Vibrations