Geometry & MOs

Info

ID:	393500
PubChem CID:	135020770
Reduced:	NOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	341.141579
ΔH_f, kcal/mol:	54.44
Dipole, Da:	4.5
IP(EA), eV:	-8.85(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-(4-nitrophenyl)-2-phenylindene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2C[C@@]2(C#N)C3=CC=CC=C3

DOS

IR

Vibrations