Geometry & MOs

Info

ID:	319364
PubChem CID:	126655771
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-52.65
Dipole, Da:	1.69
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-ditert-butyl-1,3-benzoxazol-2-yl)ethanol

Drug info:

PubChemData

Smile

CCCC1=NC2=CC(=CC(=C2O1)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations