Geometry & MOs

Info

ID:	434343
PubChem CID:	135174717
Reduced:	BrClON3C20H25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	490.10227
ΔH_f, kcal/mol:	-2.49
Dipole, Da:	2.66
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-4-prop-2-enoxyphenoxy]-N-(pyrrolidin-3-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C1CC(NC1CN)CNCC2=CC(=CC=C2)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations