Geometry & MOs

Info

ID:	242653
PubChem CID:	97857757
Reduced:	N2F3O3C14H23 (1)
Stoich.:	A2B3C3D14E23 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-337.46
Dipole, Da:	4.98
IP(EA), eV:	-9.82(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(4-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CCC(=O)N1C[C@H](CC[C@H]1C(F)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations