Geometry & MOs

Info

ID:	176835
PubChem CID:	76104381
Reduced:	ClN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	186.090546
ΔH_f, kcal/mol:	-141.78
Dipole, Da:	7.75
IP(EA), eV:	-9.66(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(triazolidin-4-ylidene)indole

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)C1=CC(C(=O)N=C1NC2CCC2)Cl

DOS

IR

Vibrations