Geometry & MOs

Info

ID:	398840
PubChem CID:	135035699
Reduced:	ClON3H14C21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	339.179421
ΔH_f, kcal/mol:	58.0
Dipole, Da:	4.33
IP(EA), eV:	-8.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [4,6-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl] carbonate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C4=NC=CC(=C4N3C1=O)Cl)C5=CC=CC=C5

DOS

IR

Vibrations