Geometry & MOs

Info

ID:	13461
PubChem CID:	234179
Reduced:	O3C16H30 (1)
Stoich.:	A3B16C30 (1)
Weight, g/mol:	270.219495
ΔH_f, kcal/mol:	-199.89
Dipole, Da:	4.24
IP(EA), eV:	-10.52(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,8-trimethylnonan-4-yl 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)CC(C)CC(CC(C)C)OC(=O)CC(=O)C

DOS

IR

Vibrations