Geometry & MOs

Info

ID:	301618
PubChem CID:	123088372
Reduced:	OSN4C28H32 (1)
Stoich.:	ABC4D28E32 (1)
Weight, g/mol:	472.229683
ΔH_f, kcal/mol:	69.42
Dipole, Da:	7.55
IP(EA), eV:	-8.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-[3-(2-methylpropoxy)phenyl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations