Geometry & MOs

Info

ID:	222486
PubChem CID:	85300904
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	-60.28
Dipole, Da:	4.52
IP(EA), eV:	-9.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(2-oxo-5-phenacylidenepyrrolidin-1-yl)heptanoate

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1C(=O)C=CC2=C(N=CC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations