Geometry & MOs

Info

ID:	210576
PubChem CID:	80824471
Reduced:	ClN7C12H16 (1)
Stoich.:	AB7C12D16 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	70.54
Dipole, Da:	4.02
IP(EA), eV:	-9.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)Cl)NCC2=NC=C(N=C2)C

DOS

IR

Vibrations