Geometry & MOs

Info

ID:	382226
PubChem CID:	134973234
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	436.07735
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	4.35
IP(EA), eV:	-8.89(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(E)-3-(benzylamino)-1-ethoxy-1-oxobut-2-en-2-yl]-(4-methylphenyl)iodanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN=C2CC[C@H]3[C@@H]2C(=NO3)Br

DOS

IR

Vibrations