Geometry & MOs

Info

ID:	282738
PubChem CID:	103937528
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-64.35
Dipole, Da:	1.23
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[(1R)-1-aminopropyl]pyridin-3-yl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)N2CCOC(C2)CO)N

DOS

IR

Vibrations