Geometry & MOs

Info

ID:	380381
PubChem CID:	134970814
Reduced:	N3C8H9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	79.41
Dipole, Da:	2.2
IP(EA), eV:	-8.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-nitro-1-phenylethyl)-5-phenyl-2,3-dihydro-1H-triazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNNN2

DOS

IR

Vibrations