Geometry & MOs

Info

ID:	338058
PubChem CID:	127258689
Reduced:	INO4C9H14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	6.35
IP(EA), eV:	-10.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-2,2-dimethylhepta-3,6-dien-3-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CC(CC(=O)OC(=O)[C@@H]1CC(CN1)I)O

DOS

IR

Vibrations