Geometry & MOs

Info

ID:	379268
PubChem CID:	134356969
Reduced:	INO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	0.94
IP(EA), eV:	-9.41(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2Z)-2-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-methylpropylidene]pent-3-ene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=CC=C(C2=C1)CCC(C(=O)O)(N)I)C=O

DOS

IR

Vibrations