Geometry & MOs

Info

ID:	442619
PubChem CID:	135253405
Reduced:	ClO3N6H19C20 (1)
Stoich.:	AB3C6D19E20 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	5.12
Dipole, Da:	2.97
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=C(C=C2)OC)CN3C4=NC=C(C(=C4C(=N3)C)Cl)C(=O)O

DOS

IR

Vibrations