Geometry & MOs

Info

ID:	322138
PubChem CID:	126668831
Reduced:	SN3O3F5H20C23 (1)
Stoich.:	AB3C3D5E20F23 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	-309.3
Dipole, Da:	7.63
IP(EA), eV:	-9.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-tert-butylazetidin-2-yl)ethyl-propan-2-ylamino]ethanol

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)CCC(F)F)C=CC(=C2)S(=O)(=O)NC4=NC=CC=N4

DOS

IR

Vibrations