Geometry & MOs

Info

ID:	202973
PubChem CID:	79755217
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	273.054753
ΔH_f, kcal/mol:	16.38
Dipole, Da:	1.83
IP(EA), eV:	-8.89(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,3,4-trifluorophenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CN=C(SC1)NCCC2=CC=CC=C2C

DOS

IR

Vibrations