Geometry & MOs

Info

ID:	245057
PubChem CID:	99432270
Reduced:	O3F4N4C21H24 (1)
Stoich.:	A3B4C4D21E24 (1)
Weight, g/mol:	351.04444
ΔH_f, kcal/mol:	-271.86
Dipole, Da:	7.22
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)NC2=CN=C(C=C2)OC3=CC(=CC=C3)F

DOS

IR

Vibrations