Geometry & MOs

Info

ID:	244998
PubChem CID:	99432033
Reduced:	F3N3O3C16H16 (1)
Stoich.:	A3B3C3D16E16 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-213.02
Dipole, Da:	5.61
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-[(2R)-2-methylpiperidin-1-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)C(=O)NCC2=C3C(=CC=C2)OCCO3)C(F)(F)F

DOS

IR

Vibrations