Geometry & MOs

Info

ID:	411286
PubChem CID:	135084099
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	0.82
Dipole, Da:	1.96
IP(EA), eV:	-9.41(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxooxepane-3-carboxylate

Drug info:

PubChemData

Smile

CC=CC1C[C@H]1COCC2=CC=CC=C2

DOS

IR

Vibrations