Geometry & MOs

Info

ID:	187672
PubChem CID:	77607023
Reduced:	O9C14H18 (1)
Stoich.:	A9B14C18 (1)
Weight, g/mol:	358.126382
ΔH_f, kcal/mol:	-364.32
Dipole, Da:	3.6
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC=C1)O)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations