Geometry & MOs

Info

ID:	40108
PubChem CID:	8143574
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	420.185807
ΔH_f, kcal/mol:	35.78
Dipole, Da:	6.19
IP(EA), eV:	-9.09(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-5-indol-3-ylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H](C#N)N=O

DOS

IR

Vibrations