Geometry & MOs

Info

ID:	309104
PubChem CID:	126537196
Reduced:	N4H36C51 (1)
Stoich.:	A4B36C51 (1)
Weight, g/mol:	207.056325
ΔH_f, kcal/mol:	241.8
Dipole, Da:	4.0
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(2,4-dimethylphenyl)triazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC(=C2C3=C1C=C(C=C3)C4=CC(=CC=C4)C5=NC(=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C

DOS

IR

Vibrations