Geometry & MOs

Info

ID:	296111
PubChem CID:	117556980
Reduced:	N5C13H23 (1)
Stoich.:	A5B13C23 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	7.51
Dipole, Da:	3.39
IP(EA), eV:	-8.71(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(cyclohexylamino)pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC(C)NC1=CC(=NC=N1)N2CCCC(C2)N

DOS

IR

Vibrations