Geometry & MOs

Info

ID:	45102
PubChem CID:	10508035
Reduced:	O8C35H66 (1)
Stoich.:	A8B35C66 (1)
Weight, g/mol:	614.337417
ΔH_f, kcal/mol:	-473.58
Dipole, Da:	5.28
IP(EA), eV:	-10.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-7-octadecyl-5,6-dihydrobenzo[c]xanthen-12-ium;perchlorate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(CCC(C(CCCCCCC(CCC[C@H](CC1=C[C@@H](OC1=O)C)O)O)O)O)O)O

DOS

IR

Vibrations