Geometry & MOs

Info

ID:	327409
PubChem CID:	126689822
Reduced:	O5C19H36 (1)
Stoich.:	A5B19C36 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-275.98
Dipole, Da:	4.42
IP(EA), eV:	-9.58(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylbutyl)-1-methoxy-4-methylbenzene

Drug info:

PubChemData

Smile

C(CCC/C=C\CCCCCCO)CCCC(=O)OCC(CO)O

DOS

IR

Vibrations