Geometry & MOs

Info

ID:	291835
PubChem CID:	113584985
Reduced:	ClON4C12H21 (1)
Stoich.:	ABC4D12E21 (1)
Weight, g/mol:	316.08987
ΔH_f, kcal/mol:	-33.63
Dipole, Da:	7.57
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[1-(dimethylamino)propan-2-ylamino]-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NC(C)CN(C)C)Cl

DOS

IR

Vibrations