Geometry & MOs

Info

ID:	336317
PubChem CID:	127255324
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	462.169191
ΔH_f, kcal/mol:	-55.7
Dipole, Da:	2.73
IP(EA), eV:	-8.57(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-oxo-2-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=CC=C(C=C2)O

DOS

IR

Vibrations