Geometry & MOs

Info

ID:	319642
PubChem CID:	126656907
Reduced:	FON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	3.27
IP(EA), eV:	-9.8(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[benzyl(hydroxy)amino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C=CC(=C1)F)C2=NC=CC=N2

DOS

IR

Vibrations