Geometry & MOs

Info

ID:	150761
PubChem CID:	53790457
Reduced:	O9C28H40 (1)
Stoich.:	A9B28C40 (1)
Weight, g/mol:	188.156501
ΔH_f, kcal/mol:	-404.7
Dipole, Da:	3.96
IP(EA), eV:	-9.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethylhex-1-enylbenzene

Drug info:

PubChemData

Smile

CCCCOC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)O)C)OC(=O)OC

DOS

IR

Vibrations