Geometry & MOs

Info

ID:	159735
PubChem CID:	57288682
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	325.09819
ΔH_f, kcal/mol:	12.01
Dipole, Da:	4.25
IP(EA), eV:	-8.89(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(chloromethyl)-5-methyl-1,2,4-triazol-4-yl]-5-methylphenyl]-phenylmethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2=CN=CC=C2

DOS

IR

Vibrations