Geometry & MOs

Info

ID:	229141
PubChem CID:	87567047
Reduced:	ClN2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	255.105942
ΔH_f, kcal/mol:	-180.43
Dipole, Da:	3.52
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)OC)C2=CN=C(C=C2C(=O)OC)Cl

DOS

IR

Vibrations