Geometry & MOs

Info

ID:	291866
PubChem CID:	113585109
Reduced:	BrON3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	287.085911
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	4.83
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(cyclopropylmethyl)-4-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCC(C)(C)NC1=C(C(=O)N(N=C1)C(C)C)Br

DOS

IR

Vibrations