Geometry & MOs

Info

ID:	296726
PubChem CID:	117590466
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	102.67
Dipole, Da:	4.64
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-5-(propylamino)triazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2N=C(C(=N2)NCC=C)C#N

DOS

IR

Vibrations