Geometry & MOs

Info

ID:	243858
PubChem CID:	99289460
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-86.29
Dipole, Da:	4.56
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-naphthalen-1-ylpiperidin-1-yl)-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CC=CC=C2O)C(=O)N3CCC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations