Geometry & MOs

Info

ID:	437167
PubChem CID:	135215466
Reduced:	SC42H54 (1)
Stoich.:	AB42C54 (1)
Weight, g/mol:	398.167065
ΔH_f, kcal/mol:	-6.99
Dipole, Da:	0.76
IP(EA), eV:	-8.59(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(9S)-2-prop-1-en-2-yl-9,9'-spirobi[fluorene]-2'-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C2=CC=C(C=C2)CSCC3=CC=C(C=C3)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations