Geometry & MOs

Info

ID:	394863
PubChem CID:	135024003
Reduced:	O4H12C17 (1)
Stoich.:	A4B12C17 (1)
Weight, g/mol:	317.21167
ΔH_f, kcal/mol:	-86.58
Dipole, Da:	5.67
IP(EA), eV:	-9.59(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C=C(C(=O)O2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations