Geometry & MOs

Info

ID:	331183
PubChem CID:	127248590
Reduced:	FN2O2C10H12 (2)
Stoich.:	AB2C2D10E12 (2)
Weight, g/mol:	447.167332
ΔH_f, kcal/mol:	-204.95
Dipole, Da:	2.86
IP(EA), eV:	-9.27(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[5-[2-(2-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]acetyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCOC(C1)C2=NN(C(=C2)CCOC3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations