Geometry & MOs

Info

ID:	271985
PubChem CID:	103708450
Reduced:	BrNOS2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	-16.95
Dipole, Da:	2.25
IP(EA), eV:	-8.75(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylcyclopentyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations