Geometry & MOs

Info

ID:	330003
PubChem CID:	127246990
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	28.63
Dipole, Da:	3.8
IP(EA), eV:	-8.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations