Geometry & MOs

Info

ID:	261157
PubChem CID:	103220500
Reduced:	ClINSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	43.1
Dipole, Da:	2.38
IP(EA), eV:	-8.97(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclobutylamino)-2-(2-pyridin-2-ylethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(C2=CC(=C(C=C2)I)Cl)N)C

DOS

IR

Vibrations