Geometry & MOs

Info

ID:	140704
PubChem CID:	52743209
Reduced:	FN2O2C23H23 (1)
Stoich.:	AB2C2D23E23 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	4.75
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC(=CC=C1)F)NC(=O)CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations