Geometry & MOs

Info

ID:	40697
PubChem CID:	8144547
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	317.143607
ΔH_f, kcal/mol:	34.87
Dipole, Da:	4.54
IP(EA), eV:	-8.32(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-cyclopropyl-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCOCC3

DOS

IR

Vibrations