Geometry & MOs

Info

ID:	157095
PubChem CID:	56422120
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	420.124526
ΔH_f, kcal/mol:	-51.06
Dipole, Da:	9.78
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations