Geometry & MOs

Info

ID:	28761
PubChem CID:	829415
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	342.111676
ΔH_f, kcal/mol:	-8.34
Dipole, Da:	6.53
IP(EA), eV:	-9.74(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitrophenyl)-4,5-diphenyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=CC1=NOC(=O)/C=C/C2=CC=CC=C2)C

DOS

IR

Vibrations