Geometry & MOs

Info

ID:	27280
PubChem CID:	820204
Reduced:	NSCl2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	152.094963
ΔH_f, kcal/mol:	41.97
Dipole, Da:	1.8
IP(EA), eV:	-8.9(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(pyridin-2-ylamino)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SC2=NC=C(C=C2)Cl)Cl

DOS

IR

Vibrations