Geometry & MOs

Info

ID:	218739
PubChem CID:	85089891
Reduced:	OPN2F6C24H25 (1)
Stoich.:	ABC2D6E24F25 (1)
Weight, g/mol:	502.162768
ΔH_f, kcal/mol:	-311.34
Dipole, Da:	6.51
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethynyl-3,6,11-trihydroxy-1-(3,4,5-trimethoxyphenyl)-2,4,4a,12a-tetrahydro-1H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CCC(C)(C#C)OP1N(C(C(N1C)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F)C

DOS

IR

Vibrations