Geometry & MOs

Info

ID:	445186
PubChem CID:	135264795
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	458.170437
ΔH_f, kcal/mol:	-7.85
Dipole, Da:	4.78
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-methyl-4a,9b-dihydrodibenzothiophen-2-yl)-4-(4-methylphenyl)-4a,9b-dihydrodibenzofuran

Drug info:

PubChemData

Smile

CCC1=C(N=C2C(=C(NN2C1=O)CC)C#N)COC

DOS

IR

Vibrations