Geometry & MOs

Info

ID:	362736
PubChem CID:	127309281
Reduced:	FO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	2.2
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NCCNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations