Geometry & MOs

Info

ID:	287780
PubChem CID:	104294376
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	280.096026
ΔH_f, kcal/mol:	1.94
Dipole, Da:	9.77
IP(EA), eV:	-9.7(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-5-nitrophenyl)-4-phenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1C2=CC(=CC(=C2)C)[N+](=O)[O-])CO

DOS

IR

Vibrations