Geometry & MOs

Info

ID:	432318
PubChem CID:	135172451
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	461.12385
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	5.79
IP(EA), eV:	-8.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4-difluoro-5-[4-(3-propan-2-yloxycyclobutyl)oxypiperidin-1-yl]pentyl] hypoiodite

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=CC=C1)OC2=CC=C(C=C2)COCC(=O)C

DOS

IR

Vibrations