Geometry & MOs

Info

ID:	335061
PubChem CID:	127253867
Reduced:	N3O5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-116.2
Dipole, Da:	3.84
IP(EA), eV:	-8.45(-0.63)
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-[(1-methylpyrrol-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1CC2=CC(=C(C=C2CN1C(=O)[C@H](C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O)OC)OC

DOS

IR

Vibrations