Geometry & MOs

Info

ID:	380016
PubChem CID:	134964484
Reduced:	O2H6C7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	159.117375
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	5.9
IP(EA), eV:	-9.09(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=C[C@@]3(C2=O)CCC(=O)O3

DOS

IR

Vibrations