Geometry & MOs

Info

ID:	148567
PubChem CID:	53788235
Reduced:	ON4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	20.14
Dipole, Da:	5.77
IP(EA), eV:	-9.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C3=NNC(=O)CC3

DOS

IR

Vibrations