Geometry & MOs

Info

ID:	229636
PubChem CID:	87568269
Reduced:	NO2F3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	134.094294
ΔH_f, kcal/mol:	-246.95
Dipole, Da:	6.54
IP(EA), eV:	-9.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylpentane-1,2,3-triol

Drug info:

PubChemData

Smile

CCCCCCC(=O)CC(=O)N(C)C1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations