Geometry & MOs

Info

ID:	287479
PubChem CID:	104243836
Reduced:	IN5C14H18 (1)
Stoich.:	AB5C14D18 (1)
Weight, g/mol:	462.92148
ΔH_f, kcal/mol:	70.7
Dipole, Da:	4.17
IP(EA), eV:	-8.93(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-6-cyclopentyl-5-iodo-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1I)C2CCCC2)C3=CN=CN3C

DOS

IR

Vibrations