Geometry & MOs

Info

ID:	390235
PubChem CID:	134997909
Reduced:	ClON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	411.182101
ΔH_f, kcal/mol:	79.62
Dipole, Da:	7.83
IP(EA), eV:	-8.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methoxy-N-[(1R)-2-(1-phenyl-1,2,4-triazol-4-ium-4-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=C(N=NC(=N3)CCl)C4=CC=C(C=C4)OC

DOS

IR

Vibrations