Geometry & MOs

Info

ID:	247593
PubChem CID:	103072342
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	3.52
IP(EA), eV:	-8.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)prop-2-enyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=O)C=CC(=N1)C

DOS

IR

Vibrations