Geometry & MOs

Info

ID:	40737
PubChem CID:	8144617
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	3.25
Dipole, Da:	7.2
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxyphenyl)-4-methyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)N(CC3=CC=C(C=C3)OC)C4CC4

DOS

IR

Vibrations