Geometry & MOs

Info

ID:	138990
PubChem CID:	52455615
Reduced:	FO2N5C21H32 (1)
Stoich.:	AB2C5D21E32 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-132.38
Dipole, Da:	8.51
IP(EA), eV:	-9.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1=NN=C2N1C3CCCCC3N(C2=O)CC(=O)NC4CCC(C(C4)F)C

DOS

IR

Vibrations