Geometry & MOs

Info

ID:	371645
PubChem CID:	131269584
Reduced:	BrO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	221.071975
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	3.01
IP(EA), eV:	-9.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S)-azetidin-2-yl]-2-chloro-4,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C(=CC=C1)OC)CO)Br

DOS

IR

Vibrations