Geometry & MOs

Info

ID:	296606
PubChem CID:	117585658
Reduced:	BrOSN4H11C12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	37.66
Dipole, Da:	3.09
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(pyridin-4-ylamino)pyrimidin-4-yl]pyrrolidin-3-one

Drug info:

PubChemData

Smile

C1CN(CC1=O)C2=NC=NC(=C2)NC3=CC(=CS3)Br

DOS

IR

Vibrations