Geometry & MOs

Info

ID:	291848
PubChem CID:	113585044
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	331.0087
ΔH_f, kcal/mol:	40.56
Dipole, Da:	2.57
IP(EA), eV:	-8.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2-chloroprop-2-enylamino)-2-(cyclobutylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC#CCNC1=C(C=NN(C1=O)CC2CC2)Cl

DOS

IR

Vibrations