Geometry & MOs

Info

ID:	376426
PubChem CID:	134222439
Reduced:	O3C10H13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-219.95
Dipole, Da:	3.57
IP(EA), eV:	-9.23(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylhexan-2-yloxymethylbenzene

Drug info:

PubChemData

Smile

CC(C)(C#CCCC(CC(=O)OC)(C(=O)OC)O)OCC1=CC=CC=C1

DOS

IR

Vibrations