Geometry & MOs

Info

ID:	269843
PubChem CID:	103619358
Reduced:	NOSF3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	307.085384
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	2.96
IP(EA), eV:	-8.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)CNCCSC(F)(F)F

DOS

IR

Vibrations