Geometry & MOs

Info

ID:	268066
PubChem CID:	103597642
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	311.153286
ΔH_f, kcal/mol:	49.67
Dipole, Da:	7.0
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N,N-bis(2-methoxyethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(S2)C=CC(=O)NCCCN3C=CN=C3

DOS

IR

Vibrations