Geometry & MOs

Info

ID:	425535
PubChem CID:	135126646
Reduced:	O3N6C35H44 (1)
Stoich.:	A3B6C35D44 (1)
Weight, g/mol:	191.069477
ΔH_f, kcal/mol:	-36.74
Dipole, Da:	8.01
IP(EA), eV:	-8.98(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC2=C(O1)C=CN=C2)CC3=C(C=CC(=C3)C(C4=C(C5=C(C=C4)N(N=N5)C)C)C(C)(C)C(=O)NC6CCOC6)C

DOS

IR

Vibrations