Geometry & MOs

Info

ID:	157087
PubChem CID:	56422109
Reduced:	BrFN3O3H15C18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	5.17
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(phenylcarbamoyl)phenyl]methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)NCCC(=O)OCC3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations