Geometry & MOs

Info

ID:	291809
PubChem CID:	113584867
Reduced:	BrON3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	6.28
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(2-cyclopropylethylamino)-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations