Geometry & MOs

Info

ID:	390262
PubChem CID:	134998119
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	349.082934
ΔH_f, kcal/mol:	52.83
Dipole, Da:	0.95
IP(EA), eV:	-8.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1,4-diphenyl-1,2,4-triazol-4-ium;perchlorate

Drug info:

PubChemData

Smile

CCCC1(CC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations