Geometry & MOs

Info

ID:	261137
PubChem CID:	103219259
Reduced:	ClISN2O3H10C13 (1)
Stoich.:	ABCD2E3F10G13 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-57.17
Dipole, Da:	3.98
IP(EA), eV:	-9.8(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(propan-2-ylamino)-2-(pyridin-4-ylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NCCC2=NC(=CS2)C(=O)O)Cl)I

DOS

IR

Vibrations