Geometry & MOs

Info

ID:	282333
PubChem CID:	103922578
Reduced:	NOSC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	173.177964
ΔH_f, kcal/mol:	-41.04
Dipole, Da:	2.37
IP(EA), eV:	-8.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(hexan-3-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)NC(C)C1=CC=C(C=C1)SC

DOS

IR

Vibrations