Geometry & MOs

Info

ID:	175636
PubChem CID:	75929472
Reduced:	FO2N4C27H33 (1)
Stoich.:	AB2C4D27E33 (1)
Weight, g/mol:	390.230528
ΔH_f, kcal/mol:	-85.71
Dipole, Da:	6.3
IP(EA), eV:	-8.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-4-ium-1-yl)-5-fluorophenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)C=CC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations