Geometry & MOs

Info

ID:	40722
PubChem CID:	8144586
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	3.76
Dipole, Da:	5.5
IP(EA), eV:	-8.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,2S)-2-methylcyclohexyl]-5-(3-methylphenyl)-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1N2C(=NN(C2=S)CN3CCOCC3)C4=CC=CC(=C4)C

DOS

IR

Vibrations