Geometry & MOs

Info

ID:	363797
PubChem CID:	127313444
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	5.86
IP(EA), eV:	-8.63(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3)C

DOS

IR

Vibrations