Geometry & MOs

Info

ID:	391546
PubChem CID:	135006432
Reduced:	N4O4H10C11 (1)
Stoich.:	A4B4C10D11 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	7.51
IP(EA), eV:	-10.5(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-3a-hydroxy-7a-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydro-2H-indene-1,5-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=NN1C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations