Geometry & MOs

Info

ID:	384931
PubChem CID:	134977983
Reduced:	O2H14C17 (1)
Stoich.:	A2B14C17 (1)
Weight, g/mol:	146.10955
ΔH_f, kcal/mol:	23.17
Dipole, Da:	4.54
IP(EA), eV:	-9.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C2=O)C(C3=CC=CC=C3)O

DOS

IR

Vibrations