Geometry & MOs

Info

ID:	209094
PubChem CID:	80623437
Reduced:	OSN6C8H10 (1)
Stoich.:	ABC6D8E10 (1)
Weight, g/mol:	315.065318
ΔH_f, kcal/mol:	42.76
Dipole, Da:	7.77
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[3-(trifluoromethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CNC1=NN=C(S1)C(=O)NCC2=CN=CN2

DOS

IR

Vibrations