Geometry & MOs

Info

ID:	214191
PubChem CID:	81087300
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	421.192289
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	7.04
IP(EA), eV:	-9.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(2,6-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]azanium

Drug info:

PubChemData

Smile

CCC(CC(=O)NC1=CC=CC(=C1)C(=O)O)CN

DOS

IR

Vibrations