Geometry & MOs

Info

ID:	210940
PubChem CID:	80874389
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	270.007516
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	3.63
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dichlorophenoxy)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)OC2=CC=C(C=C2)CCOC)Cl

DOS

IR

Vibrations