Geometry & MOs

Info

ID:	38645
PubChem CID:	8137325
Reduced:	F2N2O3H14C18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	340.02227
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	1.35
IP(EA), eV:	-9.4(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations