Geometry & MOs

Info

ID:	441169
PubChem CID:	135233402
Reduced:	F2N8H12C17 (1)
Stoich.:	A2B8C12D17 (1)
Weight, g/mol:	442.269239
ΔH_f, kcal/mol:	79.13
Dipole, Da:	2.52
IP(EA), eV:	-9.1(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-[methyl(nitroso)amino]pyridin-2-yl]-2,2-dimethylcyclohexyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=NC=C(N2N=C1C3=C(N=CN3CC(F)F)C4=CC(=CN=C4)N)C#N

DOS

IR

Vibrations