Geometry & MOs

Info

ID:	299945
PubChem CID:	118043211
Reduced:	O4N5H25C29 (1)
Stoich.:	A4B5C25D29 (1)
Weight, g/mol:	458.195405
ΔH_f, kcal/mol:	100.16
Dipole, Da:	5.81
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpiperidin-4-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1/C=C(\C#N)/C(=O)N2CC3[C@H]2CN3C4=NC(=C(C=C4)C(=O)N)OC5=CC=C(C=C5)OC6=CC=CC=C6

DOS

IR

Vibrations