Geometry & MOs

Info

ID:	69274
PubChem CID:	46530559
Reduced:	F2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-189.07
Dipole, Da:	9.05
IP(EA), eV:	-8.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)OC(F)F

DOS

IR

Vibrations