Geometry & MOs

Info

ID:	319365
PubChem CID:	126655773
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	3.77
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)N=C(O2)CCO)C(C)(C)C

DOS

IR

Vibrations