Geometry & MOs

Info

ID:	332501
PubChem CID:	127250787
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	425.186318
ΔH_f, kcal/mol:	25.27
Dipole, Da:	1.56
IP(EA), eV:	-8.63(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4

DOS

IR

Vibrations