Geometry & MOs

Info

ID:	389558
PubChem CID:	134993717
Reduced:	OC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	283.15486
ΔH_f, kcal/mol:	79.37
Dipole, Da:	3.75
IP(EA), eV:	-10.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxybutyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C=CCC1[C@H]2C[C@@H]1C2C(=O)C=C=C

DOS

IR

Vibrations