Geometry & MOs

Info

ID:	84721
PubChem CID:	49869441
Reduced:	ClO2N3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	439.200825
ΔH_f, kcal/mol:	9.43
Dipole, Da:	3.2
IP(EA), eV:	-8.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-(4-pyrazol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CN3C4=C(N2)C=CC(=C4)Cl)C(=O)C5=CC6=C(C=C5)OC=C6

DOS

IR

Vibrations