Geometry & MOs

Info

ID:	420959
PubChem CID:	135115124
Reduced:	ClFN2O3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-171.64
Dipole, Da:	5.41
IP(EA), eV:	-9.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxy-3-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)NCCN2CCCOC2=O)Cl

DOS

IR

Vibrations