Geometry & MOs

Info

ID:	207344
PubChem CID:	80383285
Reduced:	ON4C12H22 (1)
Stoich.:	AB4C12D22 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	-38.33
Dipole, Da:	5.34
IP(EA), eV:	-9.64(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-(8-methylquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations