Geometry & MOs

Info

ID:	402553
PubChem CID:	135056352
Reduced:	NCl2H9C13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	226.084124
ΔH_f, kcal/mol:	52.76
Dipole, Da:	2.84
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl] formate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=N)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations