Geometry & MOs

Info

ID:	84720
PubChem CID:	49869430
Reduced:	N3C20H23 (1)
Stoich.:	A3B20C23 (1)
Weight, g/mol:	417.124405
ΔH_f, kcal/mol:	54.69
Dipole, Da:	4.51
IP(EA), eV:	-8.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-5-yl-(8-chlorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C1C2CC3CN(C2)CC1CN3C4=CN=CC(=C4)C5=CC=CC=C5

DOS

IR

Vibrations