Geometry & MOs

Info

ID:	402645
PubChem CID:	135056676
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	211.084793
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	5.79
IP(EA), eV:	-9.16(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C/C(=C(\CCO)/C1=CC=C(C=C1)OC)/C=O

DOS

IR

Vibrations