Geometry & MOs

Info

ID:	268199
PubChem CID:	103598333
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	360.146091
ΔH_f, kcal/mol:	-52.27
Dipole, Da:	5.08
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C(C)COC)C)C=C(C#N)C(=O)N2CCCC(C2)N3CCCC3

DOS

IR

Vibrations