Geometry & MOs

Info

ID:	282731
PubChem CID:	103937391
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	4.85
IP(EA), eV:	-8.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)N(C)CC2CCCOC2)N

DOS

IR

Vibrations