Geometry & MOs

Info

ID:	334555
PubChem CID:	127253230
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-72.09
Dipole, Da:	6.96
IP(EA), eV:	-8.36(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-heptylpropanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CCC(=O)N3C[C@@H]4CC(C3)CN5C4=CC=C(C5=O)[N+](=O)[O-]

DOS

IR

Vibrations