Geometry & MOs

Info

ID:	412731
PubChem CID:	135085645
Reduced:	NOC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	2.13
IP(EA), eV:	-9.02(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(4,7-dihydro-1,3-dioxepin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1CCC[C@@H]1COC=C

DOS

IR

Vibrations