Geometry & MOs

Info

ID:	261109
PubChem CID:	103217897
Reduced:	OF3N4C12H19 (1)
Stoich.:	AB3C4D12E19 (1)
Weight, g/mol:	324.98845
ΔH_f, kcal/mol:	-176.22
Dipole, Da:	4.48
IP(EA), eV:	-9.78(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromothiophen-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C1C2=NN=C(N2CCN1)COCC(F)(F)F

DOS

IR

Vibrations