Geometry & MOs

Info

ID:	430319
PubChem CID:	135170383
Reduced:	ClFNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	274.148141
ΔH_f, kcal/mol:	-133.91
Dipole, Da:	5.5
IP(EA), eV:	-9.24(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-2-fluoro-3-phenylbut-2-enyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCN1CC2=C(C(=CC=C2)Cl)F)C(=O)O

DOS

IR

Vibrations