Geometry & MOs

Info

ID:	300497
PubChem CID:	121360306
Reduced:	OSN2H24C31 (1)
Stoich.:	ABC2D24E31 (1)
Weight, g/mol:	412.157563
ΔH_f, kcal/mol:	123.55
Dipole, Da:	4.75
IP(EA), eV:	-7.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-(3,5-dimethylphenyl)dibenzofuran-2-yl]indole-5-carbonitrile

Drug info:

PubChemData

Smile

C=CC1=CC=CC=C1NC2=CC3=C(C=C2)SC4=C3C=C(C=C4)C5=C/C(=C/C=C\C=C/N)/C(=O)C=C5

DOS

IR

Vibrations