Geometry & MOs

Info

ID:	302529
PubChem CID:	124384971
Reduced:	BrN4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	113.52
Dipole, Da:	3.27
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-2-oxo-3-phenylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](N(N=N1)C2=CC=C(C=C2)Br)C3=CC=NC=C3

DOS

IR

Vibrations