Geometry & MOs

Info

ID:	337270
PubChem CID:	127256952
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	277.06774
ΔH_f, kcal/mol:	-75.56
Dipole, Da:	6.89
IP(EA), eV:	-9.29(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromopentan-2-yl (3R)-piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations