Geometry & MOs

Info

ID:	301617
PubChem CID:	123088240
Reduced:	SN4C26H28 (1)
Stoich.:	AB4C26D28 (1)
Weight, g/mol:	472.229683
ΔH_f, kcal/mol:	121.41
Dipole, Da:	6.94
IP(EA), eV:	-8.52(-1.0)
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-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)C(C)C)SCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations