Geometry & MOs

Info

ID:	296725
PubChem CID:	117590418
Reduced:	ClN5H16C18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	139.19
Dipole, Da:	4.32
IP(EA), eV:	-8.78(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxyphenyl)-5-(prop-2-enylamino)triazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C2=NN(N=C2C#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations