Geometry & MOs

Info

ID:	381073
PubChem CID:	134971704
Reduced:	O7C16H22 (1)
Stoich.:	A7B16C22 (1)
Weight, g/mol:	404.17763
ΔH_f, kcal/mol:	-283.25
Dipole, Da:	3.83
IP(EA), eV:	-9.83(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)methylidene]-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-7-ol

Drug info:

PubChemData

Smile

CC(=O)O[C@@]1([C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C)C#C

DOS

IR

Vibrations