Geometry & MOs

Info

ID:	390014
PubChem CID:	134996582
Reduced:	PO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	406.92819
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	3.28
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2,3-dibromobut-2-enyl]-diethyl-propylazanium;bromide

Drug info:

PubChemData

Smile

CCOP(=O)(C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations