Geometry & MOs

Info

ID:	336808
PubChem CID:	127255815
Reduced:	N2F3O3H11C13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	308.148455
ΔH_f, kcal/mol:	-214.12
Dipole, Da:	4.73
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)N2C=C(C=N2)C(=O)OC

DOS

IR

Vibrations