Geometry & MOs

Info

ID:	395133
PubChem CID:	135024723
Reduced:	SH18C21 (1)
Stoich.:	AB18C21 (1)
Weight, g/mol:	409.128963
ΔH_f, kcal/mol:	78.98
Dipole, Da:	1.1
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-phenylindene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=C1C3=CC=CC=C3)C4=CC=CS4)C

DOS

IR

Vibrations