Geometry & MOs

Info

ID:	179066
PubChem CID:	76429430
Reduced:	F2N3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	531.288577
ΔH_f, kcal/mol:	-194.55
Dipole, Da:	3.88
IP(EA), eV:	-9.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2,3-dihydro-1H-inden-5-yl)-1-(naphthalen-2-ylmethyl)-3-N-(2-phenylethyl)piperidine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CCC1C(=O)N2CCN(CC2C(=O)N1)C(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations