Geometry & MOs

Info

ID:	435392
PubChem CID:	135191352
Reduced:	NO3F4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-282.76
Dipole, Da:	3.17
IP(EA), eV:	-9.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC(=C(C=C2)C(F)F)C(F)F

DOS

IR

Vibrations