Geometry & MOs

Info

ID:	233168
PubChem CID:	87692768
Reduced:	PO6C7H16 (1)
Stoich.:	AB6C7D16 (1)
Weight, g/mol:	172.088815
ΔH_f, kcal/mol:	-298.4
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758283
Charge, e:	0

Chem-info

IUPAC name:

4-prop-2-enylidene-2,3-dihydrochromene

Drug info:

PubChemData

Smile

CCOCC.C=CC(=O)O.O[P+](=O)O

DOS

IR

Vibrations