Geometry & MOs

Info

ID:	25340
PubChem CID:	623365
Reduced:	NO2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	2.65
IP(EA), eV:	-7.6(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)NC3=C(N2)C(=O)C=CC3=O)OC

DOS

IR

Vibrations