Geometry & MOs

Info

ID:	334060
PubChem CID:	127252612
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	492.200885
ΔH_f, kcal/mol:	41.69
Dipole, Da:	2.45
IP(EA), eV:	-8.23(-1.14)
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-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)CCCN5C(=O)C6=CC=CC=C6N=N5

DOS

IR

Vibrations