Geometry & MOs

Info

ID:	318796
PubChem CID:	126653282
Reduced:	FNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	287.096914
ΔH_f, kcal/mol:	-144.79
Dipole, Da:	3.55
IP(EA), eV:	-9.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(2,5-difluoro-4-methylphenyl)-2-methyl-4-nitrobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](C[N+](=O)[O-])C(C)C(=O)OC)F

DOS

IR

Vibrations