Geometry & MOs

Info

ID:	287466
PubChem CID:	104242881
Reduced:	BrN3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	254.153147
ΔH_f, kcal/mol:	40.28
Dipole, Da:	2.78
IP(EA), eV:	-8.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopentyl-N-methyl-2-pyridin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=C1)C2CCCC2)C3=CC=CC=C3Br

DOS

IR

Vibrations