Geometry & MOs

Info

ID:	363831
PubChem CID:	127313488
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	7.04
IP(EA), eV:	-8.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations