Geometry & MOs

Info

ID:	210693
PubChem CID:	80841138
Reduced:	ON7C13H19 (1)
Stoich.:	AB7C13D19 (1)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	47.24
Dipole, Da:	2.88
IP(EA), eV:	-9.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,3-dimethylcyclopentyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)N2C=CC=N2)NC3CCOC3

DOS

IR

Vibrations