Geometry & MOs

Info

ID:	204359
PubChem CID:	79953309
Reduced:	NF6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	306.21297
ΔH_f, kcal/mol:	-311.71
Dipole, Da:	4.02
IP(EA), eV:	-9.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-butyl-5,5-dimethyl-N-phenylthian-3-amine

Drug info:

PubChemData

Smile

CNC(CCC(F)(F)F)C1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations