Geometry & MOs

Info

ID:	183602
PubChem CID:	77044364
Reduced:	O2N3C5H7 (2)
Stoich.:	A2B3C5D7 (2)
Weight, g/mol:	310.038816
ΔH_f, kcal/mol:	-55.31
Dipole, Da:	1.21
IP(EA), eV:	-10.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C(CNC(=O)C1C(=O)NCCC2=NC=NN2)[N+](=O)[O-]

DOS

IR

Vibrations