Geometry & MOs

Info

ID:	210631
PubChem CID:	80832113
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	20.72
Dipole, Da:	3.84
IP(EA), eV:	-8.68(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NCCN(C)CC)NC

DOS

IR

Vibrations