Geometry & MOs

Info

ID:	421653
PubChem CID:	135116380
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	1.84
IP(EA), eV:	-8.75(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[3-(dimethylamino)pyrazin-2-yl]amino]ethyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations