Geometry & MOs

Info

ID:	306378
PubChem CID:	125011499
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	10.13
Dipole, Da:	4.57
IP(EA), eV:	-8.83(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CN(C[C@@]1(CCCN(C1)C2=NC=CN=C2)O)C(=O)C3=CC=CC(=C3)CN4C=CN=C4

DOS

IR

Vibrations