Geometry & MOs

Info

ID:	206645
PubChem CID:	80277920
Reduced:	SN6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	259.004547
ΔH_f, kcal/mol:	121.47
Dipole, Da:	10.63
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5-chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=C(N=C2N1C=CS2)N3C=CN=C3C#N

DOS

IR

Vibrations