Geometry & MOs

Info

ID:	332596
PubChem CID:	127250882
Reduced:	FO4N5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	449.187461
ΔH_f, kcal/mol:	-143.51
Dipole, Da:	3.39
IP(EA), eV:	-9.41(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations