Geometry & MOs

Info

ID:	62015
PubChem CID:	26717001
Reduced:	ON3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	69.6
Dipole, Da:	4.08
IP(EA), eV:	-9.01(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(1S)-1-naphthalen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)/C=C/C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations