Geometry & MOs

Info

ID:	443146
PubChem CID:	135257843
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	422.25292
ΔH_f, kcal/mol:	-162.87
Dipole, Da:	1.91
IP(EA), eV:	-9.69(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(butylamino)-5-prop-2-ynoxypyrimidin-2-yl]-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)O)OCC1=CC=CC=C1

DOS

IR

Vibrations