Geometry & MOs

Info

ID:	414439
PubChem CID:	135087397
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	263.210996
ΔH_f, kcal/mol:	7.04
Dipole, Da:	3.95
IP(EA), eV:	-8.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCCCC2)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations