Geometry & MOs

Info

ID:	408239
PubChem CID:	135081001
Reduced:	NO2F3C7H10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-181.6
Dipole, Da:	5.58
IP(EA), eV:	-10.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-methyl-3-nitropropanoate

Drug info:

PubChemData

Smile

C(C/C=C/CC(F)(F)F)C[N+](=O)[O-]

DOS

IR

Vibrations