Geometry & MOs

Info

ID:	381687
PubChem CID:	134972486
Reduced:	SN3F6C16H16 (2)
Stoich.:	AB3C6D16E16 (2)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-551.81
Dipole, Da:	3.51
IP(EA), eV:	-9.04(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-2-yloxy)cyclooctanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCCN(CCNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CCNC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations