Geometry & MOs

Info

ID:	345623
PubChem CID:	127269923
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-46.64
Dipole, Da:	1.69
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanophenyl)-N-(2-cyclopentyloxyethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCCNC(=O)N2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations