Geometry & MOs

Info

ID:	18042
PubChem CID:	535016
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	274.088832
ΔH_f, kcal/mol:	45.26
Dipole, Da:	3.45
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CSC1=NNC(=C1C2=CC=CC=N2)NC(=O)C3CC3

DOS

IR

Vibrations