Geometry & MOs

Info

ID:	157093
PubChem CID:	56422118
Reduced:	N4O5C20H24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-157.53
Dipole, Da:	10.86
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2-phenylanilino)propan-2-yl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)C

DOS

IR

Vibrations