Geometry & MOs

Info

ID:	422574
PubChem CID:	135118063
Reduced:	N6O6C29H34 (1)
Stoich.:	A6B6C29D34 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-155.5
Dipole, Da:	2.06
IP(EA), eV:	-8.95(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations