Geometry & MOs

Info

ID:	154311
PubChem CID:	56313724
Reduced:	O2F3N6C23H27 (1)
Stoich.:	A2B3C6D23E27 (1)
Weight, g/mol:	446.211804
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	5.68
IP(EA), eV:	-9.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C(C)N3CCN(CC3)C(=O)C4=C(N(N=C4)C(C)C)C(F)(F)F

DOS

IR

Vibrations