Geometry & MOs

Info

ID:	314007
PubChem CID:	126619551
Reduced:	NO4F7C12H14 (1)
Stoich.:	AB4C7D12E14 (1)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	-536.44
Dipole, Da:	7.36
IP(EA), eV:	-9.58(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C)\N(C)C)/C(=O)C(OC(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations