Geometry & MOs

Info

ID:	291863
PubChem CID:	113585106
Reduced:	ClON3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	315.09462
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	5.67
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations