Geometry & MOs

Info

ID:	365512
PubChem CID:	127317939
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	13.38
Dipole, Da:	4.28
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-4-cyclobutylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCC3=CN4C=CC(=CC4=N3)C

DOS

IR

Vibrations