Geometry & MOs

Info

ID:	291857
PubChem CID:	113585071
Reduced:	ClOSN3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	299.06332
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	2.33
IP(EA), eV:	-8.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(pent-4-en-2-ylamino)-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(CNC1=C(C=NN(C1=O)CC2CC2)Cl)SC

DOS

IR

Vibrations