Geometry & MOs

Info

ID:	154830
PubChem CID:	56314367
Reduced:	F3O3N4C22H23 (1)
Stoich.:	A3B3C4D22E23 (1)
Weight, g/mol:	449.04496
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	5.57
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromofuran-2-yl)methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=CC=C2CN3C=NC=N3)OCC(F)(F)F

DOS

IR

Vibrations