Geometry & MOs

Info

ID:	55666
PubChem CID:	17395766
Reduced:	FON3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	354.07712
ΔH_f, kcal/mol:	-33.44
Dipole, Da:	3.5
IP(EA), eV:	-8.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-7-chloro-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2F)C(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations