Geometry & MOs

Info

ID:	386878
PubChem CID:	134983228
Reduced:	CH (16)
Stoich.:	AB (16)
Weight, g/mol:	210.104465
ΔH_f, kcal/mol:	70.92
Dipole, Da:	0.74
IP(EA), eV:	-8.3(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E,6E)-5-benzylidene-6-(methoxymethylidene)cyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCC1=CC2=C3C=C(C=CC3=C2C=C1)CC

DOS

IR

Vibrations