Geometry & MOs

Info

ID:	295278
PubChem CID:	117524669
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	301.02146
ΔH_f, kcal/mol:	83.41
Dipole, Da:	5.38
IP(EA), eV:	-8.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CN1C2=C(C=C3CCNC3=C2)N=C1C4=CC=NC=C4

DOS

IR

Vibrations