Geometry & MOs

Info

ID:	424343
PubChem CID:	135122294
Reduced:	N5O5C30H41 (1)
Stoich.:	A5B5C30D41 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-179.58
Dipole, Da:	6.94
IP(EA), eV:	-8.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-4-oxospiro[5,7-dihydroindazole-6,4'-oxane]-1-yl)butanoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)C[C@@H](C)COC(=O)C4=CC=CC(=C4)C(=O)N5CCN(CC5)C

DOS

IR

Vibrations