Geometry & MOs

Info

ID:	171818
PubChem CID:	75429529
Reduced:	BrFNO4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-179.84
Dipole, Da:	2.71
IP(EA), eV:	-9.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)Br)C(=O)N2CCC(C2)(C(=O)O)F

DOS

IR

Vibrations