Geometry & MOs

Info

ID:	229523
PubChem CID:	87567928
Reduced:	O3F6N6C23H28 (1)
Stoich.:	A3B6C6D23E28 (1)
Weight, g/mol:	275.05132
ΔH_f, kcal/mol:	-336.09
Dipole, Da:	4.95
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(6-chloropyridin-3-yl)-3-(4-fluoro-3-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=CC(=C1C2=NC3=C(C=C2)C(N(C(N3OC(=O)C(F)(F)F)N)C)N)C(F)(F)F

DOS

IR

Vibrations