Geometry & MOs

Info

ID:	147270
PubChem CID:	53786925
Reduced:	F3N3O4C24H28 (1)
Stoich.:	A3B3C4D24E28 (1)
Weight, g/mol:	410.24571
ΔH_f, kcal/mol:	-300.45
Dipole, Da:	2.16
IP(EA), eV:	-8.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-4,5-diethoxyphenyl)-1-(4-propoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCCCOC2=CC3=C(C[C@H](C(=O)N(C3)CC(F)(F)F)CC(=O)OC)C=C2

DOS

IR

Vibrations