Geometry & MOs

Info

ID:	154215
PubChem CID:	56313620
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	435.175833
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	5.83
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCCN(C2)C(=O)C(C)C3=C(ON=C3C)C

DOS

IR

Vibrations