Geometry & MOs

Info

ID:	427878
PubChem CID:	135164863
Reduced:	BrClO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	491.09752
ΔH_f, kcal/mol:	-8.31
Dipole, Da:	3.76
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-[(pyrrolidin-3-ylmethylamino)methyl]phenoxy]propanamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)Cl)Br)CNCC3CNC3

DOS

IR

Vibrations