Geometry & MOs

Info

ID:	297074
PubChem CID:	117607722
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	288.97752
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	4.84
IP(EA), eV:	-8.68(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-difluoropiperidin-1-yl)acetyl iodide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)OCC4=NC=C(C=C4)C)N=C2[C@@H]5CCCC[C@H]5C(=O)O

DOS

IR

Vibrations