Geometry & MOs

Info

ID:	358428
PubChem CID:	127295973
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	334.169271
ΔH_f, kcal/mol:	-124.16
Dipole, Da:	4.18
IP(EA), eV:	-8.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations