Geometry & MOs

Info

ID:	154946
PubChem CID:	56314502
Reduced:	OF3N4C18H29 (1)
Stoich.:	AB3C4D18E29 (1)
Weight, g/mol:	491.202048
ΔH_f, kcal/mol:	-201.8
Dipole, Da:	3.87
IP(EA), eV:	-8.56(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-methylphenyl)methyl]-1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCCNC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations