Geometry & MOs

Info

ID:	332516
PubChem CID:	127250802
Reduced:	ClN4O4C21H25 (1)
Stoich.:	AB4C4D21E25 (1)
Weight, g/mol:	434.176562
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	2.95
IP(EA), eV:	-9.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations