Geometry & MOs

Info

ID:	30798
PubChem CID:	841929
Reduced:	ClSN3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	58.2
Dipole, Da:	4.88
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanocyclopenten-1-yl)-2-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=S)NCC2=CC=NC=C2

DOS

IR

Vibrations