Geometry & MOs

Info

ID:	177056
PubChem CID:	76131220
Reduced:	O9C60H110 (1)
Stoich.:	A9B60C110 (1)
Weight, g/mol:	311.128334
ΔH_f, kcal/mol:	-603.35
Dipole, Da:	6.55
IP(EA), eV:	-10.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-hydroxy-3,5-dimethyl-3,4-dihydro-2H-chromen-6-yl)-5-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(=O)C(=O)O1)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

DOS

IR

Vibrations