Geometry & MOs

Info

ID:	243948
PubChem CID:	99302960
Reduced:	ClON5C24H24 (1)
Stoich.:	ABC5D24E24 (1)
Weight, g/mol:	481.257671
ΔH_f, kcal/mol:	81.77
Dipole, Da:	6.65
IP(EA), eV:	-9.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(3R)-1-(4-methoxy-3-phenylbenzoyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)CCCN(C)C(=O)C2=NN(C=C2)C3=CC=CC=C3Cl)C4=CC=CC=C4

DOS

IR

Vibrations