Geometry & MOs

Info

ID:	311197
PubChem CID:	126589864
Reduced:	FN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	412.13616
ΔH_f, kcal/mol:	-4.22
Dipole, Da:	1.94
IP(EA), eV:	-9.05(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-6-(hydroxymethyl)-2-methylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

C=CC(C1[C@H](C1C=O)CONC2=CC=CC=C2)NCC3=CC(=CC=C3)F

DOS

IR

Vibrations