Geometry & MOs

Info

ID:	296605
PubChem CID:	117585656
Reduced:	ON5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	337.98369
ΔH_f, kcal/mol:	32.46
Dipole, Da:	4.75
IP(EA), eV:	-9.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(4-bromothiophen-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-one

Drug info:

PubChemData

Smile

C1CN(CC1=O)C2=NC=NC(=C2)NC3=CC=CN3

DOS

IR

Vibrations