Geometry & MOs

Info

ID:	333236
PubChem CID:	127251785
Reduced:	FO2N6C22H23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	440.16306
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	2.5
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-phenylpropylsulfonyl)morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)F)C(=O)N2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations