Geometry & MOs

Info

ID:	365252
PubChem CID:	127317597
Reduced:	SN2O2C22H32 (1)
Stoich.:	AB2C2D22E32 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-115.98
Dipole, Da:	3.29
IP(EA), eV:	-9.15(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

DOS

IR

Vibrations