Geometry & MOs

Info

ID:	395230
PubChem CID:	135024963
Reduced:	OH22C30 (1)
Stoich.:	AB22C30 (1)
Weight, g/mol:	329.141579
ΔH_f, kcal/mol:	117.69
Dipole, Da:	1.26
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[cyclohepta-2,4,6-trien-1-ylidene-(4-methoxyphenyl)azaniumyl]-2-phenylethenolate

Drug info:

PubChemData

Smile

C=C1[C@H]2[C@@H](C1=C)[C@]3(C4=CC5=CC=CC=C5C=C4[C@@]2(O3)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations