Geometry & MOs

Info

ID:	332502
PubChem CID:	127250788
Reduced:	FO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	441.156767
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	5.17
IP(EA), eV:	-9.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)NN=C2C(=O)N3CCOC(C3)C4=NNC(=C4)CCOC5=CC=C(C=C5)F

DOS

IR

Vibrations