Geometry & MOs

Info

ID:	330066
PubChem CID:	127247053
Reduced:	ON6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	24.64
Dipole, Da:	6.85
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)C2CCCN2C(=O)CCCN3C=CN=C3

DOS

IR

Vibrations