Geometry & MOs

Info

ID:	153910
PubChem CID:	56313246
Reduced:	F3N4O5C23H25 (1)
Stoich.:	A3B4C5D23E25 (1)
Weight, g/mol:	423.232205
ΔH_f, kcal/mol:	-250.92
Dipole, Da:	3.55
IP(EA), eV:	-9.14(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C1=CC=C(C=C1)C(F)(F)F)N2CCOCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations