Geometry & MOs

Info

ID:	365463
PubChem CID:	127317882
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	9.2
Dipole, Da:	3.12
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-4-cyclobutylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=CC(=CC=C3)CN4C=CN=C4

DOS

IR

Vibrations