Geometry & MOs

Info

ID:	261185
PubChem CID:	103221615
Reduced:	INOSCl2H12C15 (1)
Stoich.:	ABCDE2F12G15 (1)
Weight, g/mol:	341.01975
ΔH_f, kcal/mol:	38.3
Dipole, Da:	3.75
IP(EA), eV:	-9.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromothiophen-2-yl)methyl]-5-(2-methylpropylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations