Geometry & MOs

Info

ID:	161095
PubChem CID:	57390750
Reduced:	FN2O2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	441.310376
ΔH_f, kcal/mol:	-122.2
Dipole, Da:	2.81
IP(EA), eV:	-8.0(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3S)-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCC2=C1C3=C(N2CC[18F])C=CC(=C3)OC

DOS

IR

Vibrations