Geometry & MOs

Info

ID:	154514
PubChem CID:	56313970
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-99.86
Dipole, Da:	3.13
IP(EA), eV:	-8.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations