Geometry & MOs

Info

ID:	447352
PubChem CID:	135282201
Reduced:	OF4N4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	377.186318
ΔH_f, kcal/mol:	-193.79
Dipole, Da:	2.1
IP(EA), eV:	-9.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[4-[6-(2-amino-2,4-dimethylpentoxy)-5-fluoropyridin-3-yl]pyrimidin-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)N)COC1=C(N=C(C=C1)C2=NC(=NC=C2)C(F)F)C(F)F

DOS

IR

Vibrations