Geometry & MOs

Info

ID:	332703
PubChem CID:	127250989
Reduced:	FON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-3.36
Dipole, Da:	3.5
IP(EA), eV:	-8.87(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(3-methoxyphenyl)pyrazin-2-yl]-4-pyrrolidin-1-ylsulfonylmorpholine

Drug info:

PubChemData

Smile

C1CC1CN2CCOC(C2)C3=NC(=CN=C3)C4=CC=CC=C4F

DOS

IR

Vibrations