Geometry & MOs

Info

ID:	307512
PubChem CID:	125307282
Reduced:	N3H11C12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	220.96876
ΔH_f, kcal/mol:	97.38
Dipole, Da:	4.21
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-5-bromo-6-oxopiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(C2)CC#N

DOS

IR

Vibrations