Geometry & MOs

Info

ID:	425911
PubChem CID:	135130762
Reduced:	BrO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	644.196074
ΔH_f, kcal/mol:	58.58
Dipole, Da:	4.18
IP(EA), eV:	-8.4(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-([1]benzofuro[2,3-b]indol-6-yl)-2,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]indole

Drug info:

PubChemData

Smile

CC1CC(CCN1)CCONC2=C(NC3=CC=CC=C32)C4=C5C=C(C=CC5=NC4=O)Br

DOS

IR

Vibrations