Geometry & MOs

Info

ID:	331155
PubChem CID:	127248562
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	441.186398
ΔH_f, kcal/mol:	-98.5
Dipole, Da:	4.72
IP(EA), eV:	-8.51(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC(=O)N(C)C)CCOC3=CC=C(C=C3)OC

DOS

IR

Vibrations