Geometry & MOs

Info

ID:	200028
PubChem CID:	79334556
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	56.53
Dipole, Da:	2.59
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2N=CC(=N2)C=CCO

DOS

IR

Vibrations