Geometry & MOs

Info

ID:	390237
PubChem CID:	134997948
Reduced:	ClN4O5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	347.187186
ΔH_f, kcal/mol:	28.17
Dipole, Da:	8.45
IP(EA), eV:	-9.64(-2.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N[C@H]1C(CC2=CC=CC=C12)[N+]3=CN(N=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations