Geometry & MOs

Info

ID:	215916
PubChem CID:	85085438
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	3.8
IP(EA), eV:	-10.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl) formate

Drug info:

PubChemData

Smile

C1=CC#CC(C(C(C(C#C1)O)O)O)O

DOS

IR

Vibrations