Geometry & MOs

Info

ID:	23199
PubChem CID:	602759
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-141.01
Dipole, Da:	2.52
IP(EA), eV:	-10.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-acetyl-2,2-dimethylcyclopentyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1(CCCC1(C)C)C=CC(=O)OC

DOS

IR

Vibrations