Geometry & MOs

Info

ID:	210851
PubChem CID:	80862320
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	278.093439
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	5.26
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-2,6-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCCCC(C)OC1=CC=CC(=C1[N+](=O)[O-])NC

DOS

IR

Vibrations