Geometry & MOs

Info

ID:	282001
PubChem CID:	103914651
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	0.94
IP(EA), eV:	-8.76(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(1-pentan-3-ylpiperidin-4-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2C1NC[C@H](C)O

DOS

IR

Vibrations