Geometry & MOs

Info

ID:	381387
PubChem CID:	134972105
Reduced:	BrH19C21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	369.125571
ΔH_f, kcal/mol:	59.91
Dipole, Da:	2.78
IP(EA), eV:	-8.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxy-2,2-dimethylpropoxy)-oxo-[(10-oxoanthracen-9-ylidene)methyl]phosphanium

Drug info:

PubChemData

Smile

C1CCC(C1)/C=C/C2=C3C=CC=CC3=C(C4=CC=CC=C42)Br

DOS

IR

Vibrations