Geometry & MOs

Info

ID:	318177
PubChem CID:	126649401
Reduced:	NO5H11C16 (1)
Stoich.:	AB5C11D16 (1)
Weight, g/mol:	362.121297
ΔH_f, kcal/mol:	-118.66
Dipole, Da:	6.3
IP(EA), eV:	-9.45(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,6,7-hexahydroxyheptyl 4-hydroxy-3-methoxybenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)C2=C3C(=CC(=C2)C#N)OCO3)O

DOS

IR

Vibrations