Geometry & MOs

Info

ID:	18203
PubChem CID:	538897
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-107.72
Dipole, Da:	2.49
IP(EA), eV:	-9.94(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methyl-6-oxoheptan-2-yl)cycloprop-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CCCC(C)(C)C1=CC1C(=O)OC

DOS

IR

Vibrations