Geometry & MOs

Info

ID:	408126
PubChem CID:	135080883
Reduced:	OF3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	133.073893
ΔH_f, kcal/mol:	-178.83
Dipole, Da:	4.36
IP(EA), eV:	-8.92(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-4-nitrobutan-1-ol

Drug info:

PubChemData

Smile

CC(C(=C)C1=CC=C(C=C1)OC)C(F)(F)F

DOS

IR

Vibrations