Geometry & MOs

Info

ID:	40543
PubChem CID:	8144304
Reduced:	ClOSN4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	23.42
Dipole, Da:	3.9
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethylphenyl)-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN(C2=S)CN3CCOCC3)Cl

DOS

IR

Vibrations