Geometry & MOs

Info

ID:	40890
PubChem CID:	8144910
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	-21.88
Dipole, Da:	3.8
IP(EA), eV:	-8.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N(C=N2)C3=CC=CC=C3

DOS

IR

Vibrations