Geometry & MOs

Info

ID:	261124
PubChem CID:	103218854
Reduced:	ClINO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	4.05
IP(EA), eV:	-9.6(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(ethylamino)-2-(quinolin-4-ylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations