Geometry & MOs

Info

ID:	190248
PubChem CID:	77976939
Reduced:	BrN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	215.105862
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	6.83
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-4-(pyridin-4-ylmethyl)piperidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC2C(CC1C3C4CC(C(=O)CC4CCN3)O)C(=O)NC(N2)C5=CC=CC=C5.Br

DOS

IR

Vibrations