Geometry & MOs

Info

ID:	263298
PubChem CID:	103353929
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	328.08987
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	3.43
IP(EA), eV:	-9.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-aminocyclobutyl)methylamino]-4-bromo-2-butylpyridazin-3-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C=C1)NCC2(CCC2)N)F)F

DOS

IR

Vibrations