Geometry & MOs

Info

ID:	79172
PubChem CID:	49747219
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	419.200905
ΔH_f, kcal/mol:	26.71
Dipole, Da:	5.38
IP(EA), eV:	-8.33(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)NC(=O)N2CC(C2)C3=NC(=NO3)C4=NC=CN=C4

DOS

IR

Vibrations