Geometry & MOs

Info

ID:	290898
PubChem CID:	111626158
Reduced:	SN7C18H33 (1)
Stoich.:	AB7C18D33 (1)
Weight, g/mol:	307.085384
ΔH_f, kcal/mol:	46.12
Dipole, Da:	1.47
IP(EA), eV:	-8.35(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]thiolan-3-ol

Drug info:

PubChemData

Smile

CCNC(=NCCCCSC)NCCN1CCN(CC1)C2=NC=CC=N2

DOS

IR

Vibrations