Geometry & MOs

Info

ID:	154066
PubChem CID:	56313451
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	450.170333
ΔH_f, kcal/mol:	-112.36
Dipole, Da:	5.57
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)COCCCNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F

DOS

IR

Vibrations