Geometry & MOs

Info

ID:	210643
PubChem CID:	80833155
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	394.01328
ΔH_f, kcal/mol:	28.28
Dipole, Da:	4.09
IP(EA), eV:	-8.73(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-ethyl-4-(3-ethylsulfonylthiomorpholin-4-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)NCCN2CCCC2

DOS

IR

Vibrations