Geometry & MOs

Info

ID:	393154
PubChem CID:	135019593
Reduced:	O4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	304.094688
ΔH_f, kcal/mol:	-186.12
Dipole, Da:	1.88
IP(EA), eV:	-9.35(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-acetyl-4,5-dihydroxy-7-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCC[C@H]([C@@H](C[C@@H](CC=C)OCC1=CC=CC=C1)O)C(=O)O

DOS

IR

Vibrations