Geometry & MOs

Info

ID:	311863
PubChem CID:	126598559
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-108.61
Dipole, Da:	7.13
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R)-3-hydroxypiperidin-1-yl]-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=CC2=N1)C(=O)N)OC(C)C)OC3CCCNC3

DOS

IR

Vibrations