Geometry & MOs

Info

ID:	287469
PubChem CID:	104243011
Reduced:	BrN4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	57.78
Dipole, Da:	4.79
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-N-methyl-2-(4-methylthiophen-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2CCCC2)C3=CC(=CN=C3)Br

DOS

IR

Vibrations