Geometry & MOs

Info

ID:	333227
PubChem CID:	127251775
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	426.14741
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	4.06
IP(EA), eV:	-9.22(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(4-methylphenyl)methylsulfonyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CCCC2=CC=C(C=C2)F)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations