Geometry & MOs

Info

ID:	282092
PubChem CID:	103915735
Reduced:	N2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	257.08635
ΔH_f, kcal/mol:	-120.9
Dipole, Da:	3.88
IP(EA), eV:	-10.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluoro-5-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C(=O)CC2=CC(=CC=C2)[N+](=O)[O-])O)O

DOS

IR

Vibrations