Geometry & MOs

Info

ID:	330068
PubChem CID:	127247055
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	5.81
Dipole, Da:	5.44
IP(EA), eV:	-8.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C(=O)CC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations