Geometry & MOs

Info

ID:	210103
PubChem CID:	80763264
Reduced:	FO2N4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	258.111676
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	3.43
IP(EA), eV:	-8.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrazine-2,6-diamine

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)N

DOS

IR

Vibrations