Geometry & MOs

Info

ID:	333201
PubChem CID:	127251749
Reduced:	ClON6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	362.149124
ΔH_f, kcal/mol:	66.25
Dipole, Da:	3.39
IP(EA), eV:	-8.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=CC=C2Cl)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations