Geometry & MOs

Info

ID:	435362
PubChem CID:	135191285
Reduced:	F3O3N4H17C20 (1)
Stoich.:	A3B3C4D17E20 (1)
Weight, g/mol:	420.140925
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	4.79
IP(EA), eV:	-8.94(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1C3=C(C#CC=C3)C(F)(F)F)C(=O)NC4=CN=NC=C4C(=O)O

DOS

IR

Vibrations