Geometry & MOs

Info

ID:	405229
PubChem CID:	135073067
Reduced:	OH13C14 (2)
Stoich.:	AB13C14 (2)
Weight, g/mol:	411.098788
ΔH_f, kcal/mol:	59.03
Dipole, Da:	2.74
IP(EA), eV:	-8.77(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/2\CC2COCC#CC(C3=CC=CC=C3)(C4=CC=CC=C4)O

DOS

IR

Vibrations