Geometry & MOs

Info

ID:	227394
PubChem CID:	87561629
Reduced:	ClNO2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	4.84
IP(EA), eV:	-10.34(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-ditert-butyl-6-(methoxymethyl)benzene-1,3-diol

Drug info:

PubChemData

Smile

CNC(=O)/C=C/C(=O)Cl

DOS

IR

Vibrations