Geometry & MOs

Info

ID:	332743
PubChem CID:	127251053
Reduced:	FO2N4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	5.08
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-fluorophenyl)pyrazin-2-yl]-4-(3-methyl-1-propylpyrazol-4-yl)sulfonylmorpholine

Drug info:

PubChemData

Smile

CC(C)N(C1CCCCC1)C(=O)CN2CCOC(C2)C3=NC(=CN=C3)C4=CC=CC=C4F

DOS

IR

Vibrations