Geometry & MOs

Info

ID:	126616
PubChem CID:	50970267
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	25.05
Dipole, Da:	3.99
IP(EA), eV:	-9.38(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-morpholin-4-yl-6-[4-(oxan-4-yl)piperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=NC=C2)NC(=O)CCC3=C(N=CS3)C

DOS

IR

Vibrations