Geometry & MOs

Info

ID:	184150
PubChem CID:	77118988
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-41.93
Dipole, Da:	2.13
IP(EA), eV:	-9.35(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(6-naphthalen-2-yl-2-oxopiperidine-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

C1=COC(=C1)CCNC(=O)C2C=CC(=NC2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations