Geometry & MOs

Info

ID:	40708
PubChem CID:	8144559
Reduced:	ClN4O4H17C18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-26.94
Dipole, Da:	10.22
IP(EA), eV:	-9.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxyphenoxy)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])Cl)/CC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations