Geometry & MOs

Info

ID:	330038
PubChem CID:	127247025
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	6.96
IP(EA), eV:	-8.72(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations