Geometry & MOs

Info

ID:	318797
PubChem CID:	126653288
Reduced:	NF2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	274.076513
ΔH_f, kcal/mol:	-190.51
Dipole, Da:	2.0
IP(EA), eV:	-9.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(3,5-difluoropyridin-4-yl)-2-methyl-4-nitrobutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[C@H](C[N+](=O)[O-])C(C)C(=O)OC)F

DOS

IR

Vibrations