Geometry & MOs

Info

ID:	281228
PubChem CID:	103911536
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	1.53
IP(EA), eV:	-9.13(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[1-(2-chlorophenyl)-2-methylpropyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CNC(C1=CC=CC=C1)C(C)C)O

DOS

IR

Vibrations