Geometry & MOs

Info

ID:	291861
PubChem CID:	113585100
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	301.07897
ΔH_f, kcal/mol:	28.22
Dipole, Da:	6.65
IP(EA), eV:	-8.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2-methylbutan-2-ylamino)-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CCC(C)(C)NC1=C(C(=O)N(N=C1)CC#C)Br

DOS

IR

Vibrations