Geometry & MOs

Info

ID:	228668
PubChem CID:	87565513
Reduced:	O3N5F7H18C23 (1)
Stoich.:	A3B5C7D18E23 (1)
Weight, g/mol:	364.128629
ΔH_f, kcal/mol:	-339.68
Dipole, Da:	2.68
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-methoxy-3-propan-2-yloxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C(C2=C(N=C(C=C2)C3=C(C=CC=C3OC4=CC(=CC=C4)F)C(F)(F)F)N(C1N)OC(=O)C(F)(F)F)N

DOS

IR

Vibrations