Geometry & MOs

Info

ID:	227436
PubChem CID:	87561752
Reduced:	NO2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	106.062994
ΔH_f, kcal/mol:	-88.37
Dipole, Da:	3.68
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroperoxybutan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2=CC3=C(C=C2)NC=C3C=O)C

DOS

IR

Vibrations