Geometry & MOs

Info

ID:	334571
PubChem CID:	127253246
Reduced:	N3O6C35H35 (1)
Stoich.:	A3B6C35D35 (1)
Weight, g/mol:	401.148789
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	2.76
IP(EA), eV:	-8.51(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1H-imidazol-2-yl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCC(=O)N5C[C@H]6C[C@@H](C5)C7=CC=CC(=O)N7C6)OC

DOS

IR

Vibrations