Geometry & MOs

Info

ID:	206170
PubChem CID:	80217970
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	308.203468
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	5.48
IP(EA), eV:	-8.67(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-3-[(4,4-dimethylcyclohexyl)-methylamino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(C)C(=O)C2=CNC3=CC=CC=C32)C

DOS

IR

Vibrations