Geometry & MOs

Info

ID:	148954
PubChem CID:	53788624
Reduced:	O5C8H16 (1)
Stoich.:	A5B8C16 (1)
Weight, g/mol:	380.17148
ΔH_f, kcal/mol:	-226.35
Dipole, Da:	2.87
IP(EA), eV:	-9.87(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethoxy)-2-tridec-1-enylbenzene

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OC)O)OC)O

DOS

IR

Vibrations