Geometry & MOs

Info

ID:	425152
PubChem CID:	135125333
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-80.28
Dipole, Da:	3.01
IP(EA), eV:	-9.15(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-(8-methoxyquinolin-7-yl)spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OC5(CCN(CC5)C(=O)NO)OC4)C=N1

DOS

IR

Vibrations