Geometry & MOs

Info

ID:	182954
PubChem CID:	76962822
Reduced:	ClN2O3C10H23 (1)
Stoich.:	AB2C3D10E23 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	17.67
IP(EA), eV:	-7.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-phenyl-2-(pyridin-2-ylamino)ethanol;(1S)-1-phenyl-2-(pyridin-2-ylamino)ethanol

Drug info:

PubChemData

Smile

CC(=O)NCCOC[C@H](C[N+](C)(C)C)O.[Cl-]

DOS

IR

Vibrations