Geometry & MOs

Info

ID:	381450
PubChem CID:	134972192
Reduced:	O2C4H5 (4)
Stoich.:	A2B4C5 (4)
Weight, g/mol:	356.156501
ΔH_f, kcal/mol:	-313.22
Dipole, Da:	6.16
IP(EA), eV:	-9.25(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-prop-1-ynyl-10-[(E)-2-(4-prop-1-ynylphenyl)ethenyl]anthracene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2OC[C@@H]3[C@H](O2)[C@@H]([C@H]([C@@H](O3)C(=O)OC)O)O

DOS

IR

Vibrations