Geometry & MOs

Info

ID:	225242
PubChem CID:	85752877
Reduced:	FOC19H35 (1)
Stoich.:	ABC19D35 (1)
Weight, g/mol:	182.021523
ΔH_f, kcal/mol:	-157.14
Dipole, Da:	2.75
IP(EA), eV:	-9.67(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4,7-dioxooxepine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC(CC=CCCCCCCCC(=O)C)F

DOS

IR

Vibrations