Geometry & MOs

Info

ID:	226974
PubChem CID:	87559303
Reduced:	O2N3F6H19C23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	443.15723
ΔH_f, kcal/mol:	-323.02
Dipole, Da:	1.79
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-5-[3-(dimethylamino)propylamino]phenyl]-1-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC3=NC=C(C=C3)C(=O)N

DOS

IR

Vibrations