Geometry & MOs

Info

ID:	299348
PubChem CID:	117682711
Reduced:	ON6C14H16 (1)
Stoich.:	AB6C14D16 (1)
Weight, g/mol:	295.179696
ΔH_f, kcal/mol:	45.39
Dipole, Da:	2.57
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-cyclohexyl-2-cyclopropylpyrimidin-4-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CC3C[C@H]2CO3)C4=CN=C(N=C4)N

DOS

IR

Vibrations