Geometry & MOs

Info

ID:	357308
PubChem CID:	127293941
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-43.05
Dipole, Da:	7.98
IP(EA), eV:	-8.9(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-2-phenyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2NC(=O)N3CCNC(=O)C3C4=CC=CC=C4

DOS

IR

Vibrations