Geometry & MOs

Info

ID:	261224
PubChem CID:	103223482
Reduced:	BrFON4C14H16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	2.0
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-aminoethyl(methyl)amino]-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CN(CCN)C1=CC(=O)N(N=C1)CC2=C(C(=CC=C2)F)Br

DOS

IR

Vibrations