Geometry & MOs

Info

ID:	134338
PubChem CID:	51683121
Reduced:	ON2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	260.225249
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	3.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754247
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(4-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine

Drug info:

PubChemData

Smile

CC[C@@H](CC[NH3+])N1CCCC1=O

DOS

IR

Vibrations