Geometry & MOs

Info

ID:	267711
PubChem CID:	103585880
Reduced:	F2N2O2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	288.107419
ΔH_f, kcal/mol:	-173.43
Dipole, Da:	2.78
IP(EA), eV:	-8.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-aminophenyl)-N-(2,5-difluoro-4-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NC(=O)C(CCCOC)N)F

DOS

IR

Vibrations