Geometry & MOs

Info

ID:	206432
PubChem CID:	80249960
Reduced:	NSC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	41.09
Dipole, Da:	3.44
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNCC2=CSC(=N2)C

DOS

IR

Vibrations