Geometry & MOs

Info

ID:	57296
PubChem CID:	22395605
Reduced:	O3C23H39 (1)
Stoich.:	A3B23C39 (1)
Weight, g/mol:	364.297745
ΔH_f, kcal/mol:	-163.44
Dipole, Da:	1.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126683
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetratert-butyl-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(C(=C(C1(C(C)(C)C)O)C(C)(C)C)C(C)(C)C)C(=O)[O-]

DOS

IR

Vibrations