Geometry & MOs

Info

ID:	25002
PubChem CID:	616473
Reduced:	OH14C17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	234.104465
ΔH_f, kcal/mol:	38.37
Dipole, Da:	1.36
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-prop-2-enylidene-6H-benzo[c][1]benzoxepine

Drug info:

PubChemData

Smile

C=CC=C1C2=CC=CC=C2COC3=CC=CC=C31

DOS

IR

Vibrations