Geometry & MOs

Info

ID:	335605
PubChem CID:	127254467
Reduced:	O2N7C17H23 (1)
Stoich.:	A2B7C17D23 (1)
Weight, g/mol:	477.226371
ΔH_f, kcal/mol:	22.37
Dipole, Da:	2.58
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCN1C2=CC=CC=C2N=C1CO)N3C=NN=N3

DOS

IR

Vibrations