Geometry & MOs

Info

ID:	318795
PubChem CID:	126653280
Reduced:	FN2O2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	269.106336
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	8.43
IP(EA), eV:	-10.13(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(2-fluoro-4-methylphenyl)-2-methyl-4-nitrobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)/C=C/[N+](=O)[O-])F

DOS

IR

Vibrations