Geometry & MOs

Info

ID:	323580
PubChem CID:	126675508
Reduced:	SN3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	292.107259
ΔH_f, kcal/mol:	62.51
Dipole, Da:	3.53
IP(EA), eV:	-8.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C/C(=C(\C=N)/N)/C/C(=C/NCC1CCC2=CC=CC=C2C1)/CS

DOS

IR

Vibrations