Geometry & MOs

Info

ID:	85764
PubChem CID:	49878899
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-19.48
Dipole, Da:	8.23
IP(EA), eV:	-8.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4OC(C)C)C(=O)C)N=N1

DOS

IR

Vibrations