Geometry & MOs

Info

ID:	299349
PubChem CID:	117682713
Reduced:	N5C17H21 (1)
Stoich.:	A5B17C21 (1)
Weight, g/mol:	310.190595
ΔH_f, kcal/mol:	71.92
Dipole, Da:	1.75
IP(EA), eV:	-9.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(azetidin-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)C4CC4

DOS

IR

Vibrations