Geometry & MOs

Info

ID:	291862
PubChem CID:	113585105
Reduced:	BrON3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	271.14514
ΔH_f, kcal/mol:	-35.51
Dipole, Da:	4.64
IP(EA), eV:	-9.3(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-methylpentan-2-ylamino)-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations