Geometry & MOs

Info

ID:	185038
PubChem CID:	77244768
Reduced:	N5O6C32H51 (1)
Stoich.:	A5B6C32D51 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-257.22
Dipole, Da:	5.11
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(tetrazolidin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NNN=N2

DOS

IR

Vibrations