Geometry & MOs

Info

ID:	228363
PubChem CID:	87564086
Reduced:	NO2C4H11 (1)
Stoich.:	AB2C4D11 (1)
Weight, g/mol:	652.316189
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	2.02
IP(EA), eV:	-10.14(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylphenyl)-5-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)benzoyl] 3-(4-methylphenyl)-5-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)benzoate

Drug info:

PubChemData

Smile

CC(CO)CON

DOS

IR

Vibrations