Geometry & MOs

Info

ID:	154540
PubChem CID:	56313997
Reduced:	FO2N3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	460.191069
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	3.93
IP(EA), eV:	-8.61(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations