Geometry & MOs

Info

ID:	407661
PubChem CID:	135080411
Reduced:	N2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	187.109399
ΔH_f, kcal/mol:	54.06
Dipole, Da:	2.2
IP(EA), eV:	-9.2(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-deuterio-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium

Drug info:

PubChemData

Smile

CCCCC(=C)/C=C\N1C=CC=N1

DOS

IR

Vibrations