Geometry & MOs

Info

ID:	329995
PubChem CID:	127246982
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	314.149124
ΔH_f, kcal/mol:	2.62
Dipole, Da:	2.47
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=CC(=NO3)C4CCCCC4

DOS

IR

Vibrations