Geometry & MOs

Info

ID:	333060
PubChem CID:	127251484
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	436.227454
ΔH_f, kcal/mol:	-13.95
Dipole, Da:	5.41
IP(EA), eV:	-9.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-[4-[(2-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3=NON=C3C)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations