Geometry & MOs

Info

ID:	296607
PubChem CID:	117585661
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	38.67
Dipole, Da:	1.71
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-one

Drug info:

PubChemData

Smile

C1CN(CC1=O)C2=NC=NC(=C2)NC3=CC=NC=C3

DOS

IR

Vibrations