Geometry & MOs

Info

ID:	6735
PubChem CID:	69765
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	6.69
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-nitrophenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations