Geometry & MOs

Info

ID:	296603
PubChem CID:	117585649
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	337.98369
ΔH_f, kcal/mol:	-42.1
Dipole, Da:	2.69
IP(EA), eV:	-8.77(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(5-bromothiophen-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-one

Drug info:

PubChemData

Smile

CC(C)CCCNC1=CC(=NC=N1)N2CCC(C2)O

DOS

IR

Vibrations