Geometry & MOs

Info

ID:	246310
PubChem CID:	103059163
Reduced:	OBr2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	25.9
Dipole, Da:	4.44
IP(EA), eV:	-8.85(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethylcyclohexyl)oxymethyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(N=C1)COC2=C(C=C(C=C2)Br)Br

DOS

IR

Vibrations