Geometry & MOs

Info

ID:	198031
PubChem CID:	79033746
Reduced:	O2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	-61.18
Dipole, Da:	3.28
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CN=CC(=N1)NC(CO)CO

DOS

IR

Vibrations