Geometry & MOs

Info

ID:	242648
PubChem CID:	97857730
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	6.24
IP(EA), eV:	-9.9(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1CCCCN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)O

DOS

IR

Vibrations