Geometry & MOs

Info

ID:	216990
PubChem CID:	85087081
Reduced:	O3N4H12C17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	322.141638
ΔH_f, kcal/mol:	37.21
Dipole, Da:	2.63
IP(EA), eV:	-10.02(-3.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,8-dihydroxy-6-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) acetate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C2=CC(=C3C=CC(=O)C=C3)N=NC2=O

DOS

IR

Vibrations