Geometry & MOs

Info

ID:	190981
PubChem CID:	78090058
Reduced:	BrClFO6N8C36H41 (1)
Stoich.:	ABCD6E8F36G41 (1)
Weight, g/mol:	178.074228
ΔH_f, kcal/mol:	-184.23
Dipole, Da:	8.67
IP(EA), eV:	-8.78(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-cyclopropylethyl)pyridazine-3,4-dione

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)CC3NC(CC(=O)N3)N4CCOCC4.CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO

DOS

IR

Vibrations