Geometry & MOs

Info

ID:	272939
PubChem CID:	103768410
Reduced:	FON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-56.95
Dipole, Da:	4.63
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[1-(oxan-4-yl)ethyl]pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC2=C(C(=CC=C2)F)C#N

DOS

IR

Vibrations