Geometry & MOs

Info

ID:	52076
PubChem CID:	12014859
Reduced:	OC10H10 (2)
Stoich.:	AB10C10 (2)
Weight, g/mol:	298.102751
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	2.03
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-1H-isochromen-4-ylidenemethyl]-1-thiophen-2-ylbut-3-en-1-ol

Drug info:

PubChemData

Smile

C=C(CC(C1=CC=CC=C1)O)/C=C/2\COCC3=CC=CC=C32

DOS

IR

Vibrations