Geometry & MOs

Info

ID:	379965
PubChem CID:	134964407
Reduced:	FC15H19 (1)
Stoich.:	AB15C19 (1)
Weight, g/mol:	246.183109
ΔH_f, kcal/mol:	-37.6
Dipole, Da:	2.45
IP(EA), eV:	-9.32(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[ethoxy(hydroxy)methyl]-4,5-dimethylhexanoate

Drug info:

PubChemData

Smile

CC(C)C1(CCCC=C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations