Geometry & MOs

Info

ID:	296604
PubChem CID:	117585655
Reduced:	BrOSN4H11C12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	243.11201
ΔH_f, kcal/mol:	43.42
Dipole, Da:	2.98
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(1H-pyrrol-2-ylamino)pyrimidin-4-yl]pyrrolidin-3-one

Drug info:

PubChemData

Smile

C1CN(CC1=O)C2=NC=NC(=C2)NC3=CC=C(S3)Br

DOS

IR

Vibrations