Geometry & MOs

Info

ID:	323657
PubChem CID:	126675665
Reduced:	ClN7C12H16 (1)
Stoich.:	AB7C12D16 (1)
Weight, g/mol:	230.091609
ΔH_f, kcal/mol:	62.67
Dipole, Da:	3.08
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(5-methyl-1,2-oxazol-3-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N)N(CC2=CC(=NC(=C2N)N)N)N

DOS

IR

Vibrations