Geometry & MOs

Info

ID:	52079
PubChem CID:	12014862
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	2.23
IP(EA), eV:	-9.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3,4-dihydro-1H-2-benzoxepin-5-ylidenemethyl]-1-phenylbut-3-en-1-ol

Drug info:

PubChemData

Smile

C=C(CC(C1CCCCC1)O)/C=C/2\COCC3=CC=CC=C32

DOS

IR

Vibrations