Geometry & MOs

Info

ID:	361313
PubChem CID:	127302508
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	298.088434
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	5.04
IP(EA), eV:	-8.48(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations