Geometry & MOs

Info

ID:	171736
PubChem CID:	75419539
Reduced:	ClFSN2C20H22 (1)
Stoich.:	ABCD2E20F22 (1)
Weight, g/mol:	316.083937
ΔH_f, kcal/mol:	42.1
Dipole, Da:	28.48
IP(EA), eV:	-6.62(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)pyrazol-3-yl]amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCC(CC)C1=CC=[N+](C=C1)CC2=CSC(=N2)C3=CC=CC=C3F.[Cl-]

DOS

IR

Vibrations