Geometry & MOs

Info

ID:	448789
PubChem CID:	135293624
Reduced:	BrON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	358.115379
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	4.06
IP(EA), eV:	-8.24(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-6-fluoro-N-[5-methanimidoyl-2-(6-methylpyrazin-2-yl)pyridin-4-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=C(N=C(C=C1)Br)N2CCCCC2

DOS

IR

Vibrations