Geometry & MOs

Info

ID:	406426
PubChem CID:	135077536
Reduced:	OH16C18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	530.186002
ΔH_f, kcal/mol:	35.91
Dipole, Da:	3.14
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzylidene-[(9R,10R)-9,10-diethyl-2-phenyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]oxidanium;perchlorate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CC(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations