Geometry & MOs

Info

ID:	414736
PubChem CID:	135087697
Reduced:	ClON5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	306.241962
ΔH_f, kcal/mol:	4.2
Dipole, Da:	4.07
IP(EA), eV:	-8.83(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[propyl-[[2-(propylamino)pyrimidin-5-yl]methyl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)CC2=C(N(N=C2C)C)Cl

DOS

IR

Vibrations