Geometry & MOs

Info

ID:	40292
PubChem CID:	8143885
Reduced:	SN4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	385.102048
ΔH_f, kcal/mol:	58.25
Dipole, Da:	3.84
IP(EA), eV:	-8.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCCC3)C

DOS

IR

Vibrations