Geometry & MOs

Info

ID:	49607
PubChem CID:	11533350
Reduced:	ClN2O4C28H33 (1)
Stoich.:	AB2C4D28E33 (1)
Weight, g/mol:	497.206304
ΔH_f, kcal/mol:	-180.16
Dipole, Da:	11.65
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-pyrrolidin-1-ylethyl) 1-ethyl-6-oxo-3-phenyl-5-(quinolin-5-ylamino)pyridazine-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCC(C2=O)CC3=C(C=C(C=C3)C4=CC=C(C=C4)C(=O)NCCCC(=O)O)Cl

DOS

IR

Vibrations