Geometry & MOs

Info

ID:	153659
PubChem CID:	56312946
Reduced:	FN4O4C23H25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	460.191069
ΔH_f, kcal/mol:	-135.29
Dipole, Da:	4.05
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations