Geometry & MOs

Info

ID:	282011
PubChem CID:	103914662
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	228.220164
ΔH_f, kcal/mol:	-51.11
Dipole, Da:	3.01
IP(EA), eV:	-9.06(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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