Geometry & MOs

Info

ID:	332603
PubChem CID:	127250889
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-46.68
Dipole, Da:	6.57
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(5-methyl-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NN=C2C(=O)N3CCOC(C3)C4=NNC(=C4)CCOC5=CC=CC=C5F

DOS

IR

Vibrations