Geometry & MOs

Info

ID:	301619
PubChem CID:	123088380
Reduced:	OSN4C28H32 (1)
Stoich.:	ABC4D28E32 (1)
Weight, g/mol:	520.229683
ΔH_f, kcal/mol:	77.23
Dipole, Da:	4.03
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3-butoxyphenyl)-N-[3-(naphthalen-1-ylmethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC(=CC=C2)OCC(C)C)SCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations