Geometry & MOs

Info

ID:	323407
PubChem CID:	126674718
Reduced:	N3O3F4H15C23 (1)
Stoich.:	A3B3C4D15E23 (1)
Weight, g/mol:	211.23
ΔH_f, kcal/mol:	-208.07
Dipole, Da:	7.87
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-octan-2-yl-1-propan-2-ylazetidine

Drug info:

PubChemData

Smile

C1COC2=C(N1C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F)C=CC(=C2)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations