Geometry & MOs

Info

ID:	130456
PubChem CID:	51090889
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	7.18
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations