Geometry & MOs

Info

ID:	31613
PubChem CID:	855935
Reduced:	N4H18C21 (1)
Stoich.:	A4B18C21 (1)
Weight, g/mol:	311.142248
ΔH_f, kcal/mol:	119.93
Dipole, Da:	8.37
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=NC=C4

DOS

IR

Vibrations