Geometry & MOs

Info

ID:	247749
PubChem CID:	103073137
Reduced:	BrON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-13.35
Dipole, Da:	3.36
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C=CC=C(C1=O)Br

DOS

IR

Vibrations