Geometry & MOs

Info

ID:	368107
PubChem CID:	127327484
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	337.05382
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	6.36
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-5-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C3=C(C=C(C=C3)S(=O)(=O)N)S(=O)(=O)C

DOS

IR

Vibrations