Geometry & MOs

Info

ID:	447350
PubChem CID:	135282175
Reduced:	ON3F4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	393.156767
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	2.46
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-(2-amino-2,4-dimethylpentoxy)-5-chloropyridin-3-yl]pyrimidin-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)N)COC1=C(C=C(C=N1)C2=C3C(=CC(=CC3=NC=C2)F)F)C(F)F

DOS

IR

Vibrations