Geometry & MOs

Info

ID:	161808
PubChem CID:	57392740
Reduced:	O2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	407.153286
ΔH_f, kcal/mol:	-114.33
Dipole, Da:	2.5
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-amino-3-(4-fluorophenyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC(C)C1=CC(=CC2=C1OCC3COC2O3)/C=C/C(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations