Geometry & MOs

Info

ID:	38778
PubChem CID:	8137913
Reduced:	NO5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	336.076451
ΔH_f, kcal/mol:	-153.34
Dipole, Da:	3.71
IP(EA), eV:	-9.06(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

DOS

IR

Vibrations