Geometry & MOs

Info

ID:	28196
PubChem CID:	826172
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-93.03
Dipole, Da:	2.48
IP(EA), eV:	-8.89(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-methyl-4-nitrophenol

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H](C1)OC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations