Geometry & MOs

Info

ID:	261127
PubChem CID:	103218951
Reduced:	ClINO3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	-98.28
Dipole, Da:	2.42
IP(EA), eV:	-9.98(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-(ethylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC(=O)O)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations