Geometry & MOs

Info

ID:	28138
PubChem CID:	825800
Reduced:	ClO2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	272.141245
ΔH_f, kcal/mol:	-12.91
Dipole, Da:	1.88
IP(EA), eV:	-9.78(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2aR,7S,7aR)-7-hydroxy-1,2,2a,7a-tetramethylcyclobuta[a]indene-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C#CC1=CC=C(C=C1)Cl

DOS

IR

Vibrations