Geometry & MOs

Info

ID:	163076
PubChem CID:	57588042
Reduced:	ClN2O6C26H27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	279.066221
ΔH_f, kcal/mol:	-197.19
Dipole, Da:	2.24
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(2-chloroacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

Drug info:

PubChemData

Smile

C=CCOC(=O)N(CC(=O)N1CCC2(CC1)C3=CC=CC=C3CO2)[C@H](C4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations