Geometry & MOs

Info

ID:	307270
PubChem CID:	125299311
Reduced:	SN6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	336.104482
ΔH_f, kcal/mol:	166.94
Dipole, Da:	7.47
IP(EA), eV:	-8.76(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2H-indol-3-yl)ethyl]-5-thiophen-2-yl-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C=CCN1[C@H](N=NC1=S)CN2C3=CC=CC=C3NN2

DOS

IR

Vibrations