Geometry & MOs

Info

ID:	406434
PubChem CID:	135077580
Reduced:	O2N6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	353.165876
ΔH_f, kcal/mol:	-23.98
Dipole, Da:	4.06
IP(EA), eV:	-9.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-benzyl-2-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;chloride

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(CC1)N2C=C(N=N2)C(=O)NN

DOS

IR

Vibrations