Geometry & MOs

Info

ID:	277939
PubChem CID:	103832057
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	6.03
IP(EA), eV:	-9.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=C(C=NC=C1)C)N

DOS

IR

Vibrations