Geometry & MOs

Info

ID:	334825
PubChem CID:	127253631
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	484.211055
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	7.17
IP(EA), eV:	-8.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-oxo-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)N3CCCC4=C[C@H]5CC(C43)CN6C5CCCC6

DOS

IR

Vibrations