Geometry & MOs

Info

ID:	358806
PubChem CID:	127296674
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	52.55
Dipole, Da:	8.69
IP(EA), eV:	-9.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CCN(CC2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations