Geometry & MOs

Info

ID:	434036
PubChem CID:	135174189
Reduced:	BrOCl2N2C21H23 (1)
Stoich.:	ABC2D2E21F23 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	0.96
Dipole, Da:	3.93
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[3-prop-2-enoxy-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCC1CNCCOC2=C(C=C(C=C2)Cl)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations