Geometry & MOs

Info

ID:	277164
PubChem CID:	103827099
Reduced:	BrClNOF3H6C13 (1)
Stoich.:	ABCDE3F6G13 (1)
Weight, g/mol:	358.99238
ΔH_f, kcal/mol:	-131.7
Dipole, Da:	2.86
IP(EA), eV:	-9.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-1-(3-bromo-5-chlorobenzoyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Br)C(=O)NC2=C(C=C(C=C2F)F)F

DOS

IR

Vibrations