Geometry & MOs

Info

ID:	322607
PubChem CID:	126670641
Reduced:	N2C13H28 (1)
Stoich.:	A2B13C28 (1)
Weight, g/mol:	338.099747
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	1.07
IP(EA), eV:	-8.39(2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[3-[(3Z)-4-chlorohexa-1,3,5-trien-3-yl]-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C([C@@H]1CN)C(C)(C)C)C(C)C

DOS

IR

Vibrations