Geometry & MOs

Info

ID:	50589
PubChem CID:	12013139
Reduced:	ClN3H10C13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	80.71
Dipole, Da:	4.61
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-2-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations