Geometry & MOs

Info

ID:	20729
PubChem CID:	585412
Reduced:	N2O2H12C15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	504.179755
ΔH_f, kcal/mol:	41.32
Dipole, Da:	8.63
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[N-(4,5-diphenyltriazol-1-yl)-C-(4-methoxyphenyl)carbonimidoyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=NN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations