Geometry & MOs

Info

ID:	224870
PubChem CID:	85532538
Reduced:	O5C10H16 (1)
Stoich.:	A5B10C16 (1)
Weight, g/mol:	344.123486
ΔH_f, kcal/mol:	-238.38
Dipole, Da:	4.71
IP(EA), eV:	-10.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-phenyl-1-thiophen-2-yltrideca-2,4,6,8,10,12-hexaen-1-one

Drug info:

PubChemData

Smile

CCC(C(=O)CC(=O)OCC)OC(=O)C

DOS

IR

Vibrations