Geometry & MOs

Info

ID:	203209
PubChem CID:	79792469
Reduced:	Br2N2F3O3H9C11 (1)
Stoich.:	A2B2C3D3E9F11 (1)
Weight, g/mol:	310.150427
ΔH_f, kcal/mol:	-273.52
Dipole, Da:	8.36
IP(EA), eV:	-9.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1Br)Br)C(=O)O)(C(F)(F)F)N

DOS

IR

Vibrations