Geometry & MOs

Info

ID:	342929
PubChem CID:	127266092
Reduced:	OF3N4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	328.125944
ΔH_f, kcal/mol:	-174.47
Dipole, Da:	4.21
IP(EA), eV:	-9.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=CN=C2)C(=O)N)CC(F)(F)F

DOS

IR

Vibrations