Geometry & MOs

Info

ID:	262443
PubChem CID:	103293149
Reduced:	ClN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	369.02435
ΔH_f, kcal/mol:	-203.67
Dipole, Da:	6.83
IP(EA), eV:	-9.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC(=O)N[C@@H](CO)C(=O)O

DOS

IR

Vibrations