Geometry & MOs

Info

ID:	176161
PubChem CID:	76002424
Reduced:	NCl2O3H7C12 (1)
Stoich.:	AB2C3D7E12 (1)
Weight, g/mol:	494.137527
ΔH_f, kcal/mol:	-70.02
Dipole, Da:	2.56
IP(EA), eV:	-10.0(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2,4-dichlorophenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridine-4a-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C2C=C(C=NC2=O)C(=O)O

DOS

IR

Vibrations