Geometry & MOs

Info

ID:	204363
PubChem CID:	79954031
Reduced:	BrON2S2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	211.154784
ΔH_f, kcal/mol:	38.66
Dipole, Da:	4.93
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-N-methylnonan-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2)Br

DOS

IR

Vibrations