Geometry & MOs

Info

ID:	230214
PubChem CID:	87570429
Reduced:	OC13H24 (2)
Stoich.:	AB13C24 (2)
Weight, g/mol:	276.078644
ΔH_f, kcal/mol:	-165.37
Dipole, Da:	4.43
IP(EA), eV:	-9.56(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethynylphenyl)-7-methoxychromen-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCC(C)CCCC(C)C(C/C=C/CC/C=C/C)C(=O)O

DOS

IR

Vibrations