Geometry & MOs

Info

ID:	203791
PubChem CID:	79871865
Reduced:	NO5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	198.148061
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	3.64
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-2-(3-methylbutyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)COC2=COC(=CC2=O)CO)C#N

DOS

IR

Vibrations