Geometry & MOs

Info

ID:	299342
PubChem CID:	117682701
Reduced:	NC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	296.174945
ΔH_f, kcal/mol:	52.71
Dipole, Da:	1.28
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(aziridin-1-yl)-6-cyclohexylpyrimidin-4-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=NC(=C2)C3=CN=C(N=C3)N)N4CCCC4

DOS

IR

Vibrations