Geometry & MOs

Info

ID:	306165
PubChem CID:	125001893
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	358.121195
ΔH_f, kcal/mol:	-120.11
Dipole, Da:	2.62
IP(EA), eV:	-8.98(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]imidazo[1,2-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2=CN=C(O2)[C@H]3CCCCN3C(=O)CN4CCOCC4

DOS

IR

Vibrations