Geometry & MOs

Info

ID:	401850
PubChem CID:	135052959
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-116.25
Dipole, Da:	3.88
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(hydroxymethylidene)spiro[chromene-2,1'-cyclopentane]-4-one

Drug info:

PubChemData

Smile

CCCC1(/C(=C\O)/C(=O)C2=C(O1)C=CC(=C2)C)C

DOS

IR

Vibrations