Geometry & MOs

Info

ID:	396184
PubChem CID:	135027653
Reduced:	BrOH17C20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	430.191087
ΔH_f, kcal/mol:	38.7
Dipole, Da:	2.14
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(4E)-5,9-dimethyl-2-propan-2-ylidenedeca-4,8-dienyl]naphthalene-1,3,6,8-tetrol

Drug info:

PubChemData

Smile

COC(/C=C(\C1=CC=CC=C1)/Br)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations