Geometry & MOs

Info

ID:	371530
PubChem CID:	127346814
Reduced:	FN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	374.200571
ΔH_f, kcal/mol:	-176.58
Dipole, Da:	2.81
IP(EA), eV:	-8.13(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)NC3=CC(=C(C=C3)NCC4CCCO4)F

DOS

IR

Vibrations