Geometry & MOs

Info

ID:	373403
PubChem CID:	131314708
Reduced:	BrO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	4.9
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-pyridin-2-ylpiperidine-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1OC[C@@H](C2)C(=O)O)Br

DOS

IR

Vibrations