Geometry & MOs

Info

ID:	226805
PubChem CID:	87558428
Reduced:	SF2O2N3C27H27 (1)
Stoich.:	AB2C2D3E27F27 (1)
Weight, g/mol:	386.09938
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	5.78
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-1-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C=O)N2CCC(CC2)C3=NC(=CS3)C4=NOC(C4)C5=C(C=CC=C5F)F

DOS

IR

Vibrations