Geometry & MOs

Info

ID:	291852
PubChem CID:	113585058
Reduced:	OBr2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	334.96723
ΔH_f, kcal/mol:	27.12
Dipole, Da:	3.29
IP(EA), eV:	-9.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-bromoprop-2-enylamino)-5-chloro-6-oxopyridazin-1-yl]acetate

Drug info:

PubChemData

Smile

C=C(CNC1=C(C(=O)N(N=C1)CC2CC2)Br)Br

DOS

IR

Vibrations