Geometry & MOs

Info

ID:	291865
PubChem CID:	113585108
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	315.09462
ΔH_f, kcal/mol:	12.24
Dipole, Da:	1.8
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)(C)NC1=C(C=NN(C1=O)CC#C)Cl

DOS

IR

Vibrations