Geometry & MOs

Info

ID:	126144
PubChem CID:	50953082
Reduced:	N3C15H19 (1)
Stoich.:	A3B15C19 (1)
Weight, g/mol:	361.082934
ΔH_f, kcal/mol:	51.42
Dipole, Da:	4.57
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenoxy)-1-(pyrimidine-4-carbonyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)C3=CC=NN3

DOS

IR

Vibrations