Geometry & MOs

Info

ID:	154484
PubChem CID:	56313929
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	301.147807
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	8.15
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-(5-methylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N(C)C)C2=CC=CC=C2F

DOS

IR

Vibrations