Geometry & MOs

Info

ID:	175357
PubChem CID:	75887140
Reduced:	N2F3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-261.36
Dipole, Da:	3.16
IP(EA), eV:	-9.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)COCC(F)(F)F

DOS

IR

Vibrations