Geometry & MOs

Info

ID:	84691
PubChem CID:	49869315
Reduced:	ClON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	399.151368
ΔH_f, kcal/mol:	59.64
Dipole, Da:	5.79
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(4-fluorophenyl)-7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine];hydrochloride

Drug info:

PubChemData

Smile

CCN1C=C(C=C(C1=O)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC(=CN=C4)Cl

DOS

IR

Vibrations