Geometry & MOs

Info

ID:	40027
PubChem CID:	8143442
Reduced:	OSN4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	360.198383
ΔH_f, kcal/mol:	8.28
Dipole, Da:	6.78
IP(EA), eV:	-8.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-[[(2R)-2-ethylpiperidin-1-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations