Geometry & MOs

Info

ID:	172125
PubChem CID:	75470519
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	383.139368
ΔH_f, kcal/mol:	-52.72
Dipole, Da:	2.17
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(O2)C(=O)N3CCOCC3C4=NOC=N4)C

DOS

IR

Vibrations