Geometry & MOs

Info

ID:	311966
PubChem CID:	126599888
Reduced:	F2O2N5H21C22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	256.097855
ΔH_f, kcal/mol:	-15.14
Dipole, Da:	4.21
IP(EA), eV:	-8.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[[(2S,4R)-1-(4-chlorophenyl)-4-methoxypyrrolidin-2-yl]methyl]hydroxylamine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(N=C(C=C2)C3=N[C@H]([C@H](ON3)C4CC4)C5=CC(=CC(=C5)F)F)OC

DOS

IR

Vibrations