Geometry & MOs

Info

ID:	360388
PubChem CID:	127301033
Reduced:	OF3N6C17H17 (1)
Stoich.:	AB3C6D17E17 (1)
Weight, g/mol:	380.176087
ΔH_f, kcal/mol:	-95.23
Dipole, Da:	3.5
IP(EA), eV:	-9.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=C2C(F)(F)F)N4C=NC=N4

DOS

IR

Vibrations