Geometry & MOs

Info

ID:	210684
PubChem CID:	80840190
Reduced:	N7C12H17 (1)
Stoich.:	A7B12C17 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	65.78
Dipole, Da:	6.74
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[6-(methylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(CCCC1)NC2=NC(=NC(=N2)N)N3C=CN=C3

DOS

IR

Vibrations