Geometry & MOs

Info

ID:	127038
PubChem CID:	50988325
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	304.122152
ΔH_f, kcal/mol:	-4.74
Dipole, Da:	3.45
IP(EA), eV:	-8.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

CC1=NN=C(O1)COC2=CC=C(C=C2)N

DOS

IR

Vibrations