Geometry & MOs

Info

ID:	378476
PubChem CID:	134224559
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	292.058303
ΔH_f, kcal/mol:	-35.42
Dipole, Da:	6.77
IP(EA), eV:	-9.34(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2,3,4,5,6-pentahydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC2=CC(=NC(=O)N2CC=N)OC)C

DOS

IR

Vibrations