Geometry & MOs

Info

ID:	334976
PubChem CID:	127253782
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-98.62
Dipole, Da:	3.62
IP(EA), eV:	-8.64(0.17)
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-(3-imidazol-1-ylpropyl)butanamide

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@H]2C1)CN(CC3CC3)C(=O)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations