Geometry & MOs

Info

ID:	291878
PubChem CID:	113585145
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	329.01975
ΔH_f, kcal/mol:	50.19
Dipole, Da:	3.97
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[(2-methyl-2-methylsulfanylpropyl)amino]-2-prop-2-ynylpyridazin-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations