Geometry & MOs

Info

ID:	191113
PubChem CID:	78105911
Reduced:	NO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	282.146724
ΔH_f, kcal/mol:	-105.37
Dipole, Da:	4.6
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-1,4a,6-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(C2=O)(C(=O)NC3=CC=CC=C3)O)C=C1

DOS

IR

Vibrations