Geometry & MOs

Info

ID:	262781
PubChem CID:	103316976
Reduced:	SN2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	288.065652
ΔH_f, kcal/mol:	119.97
Dipole, Da:	3.84
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylthiophen-2-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=NC3=NCCC(N3N2)C4=CSC=C4

DOS

IR

Vibrations