Geometry & MOs

Info

ID:	154823
PubChem CID:	56314360
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	418.180504
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	0.92
IP(EA), eV:	-8.76(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C(C)C3=C(ON=C3C)C

DOS

IR

Vibrations