Geometry & MOs

Info

ID:	261170
PubChem CID:	103220948
Reduced:	ClINOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	3.81
IP(EA), eV:	-9.7(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethylamino)-2-(1-benzothiophen-3-ylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations