Geometry & MOs

Info

ID:	1756
PubChem CID:	4993
Reduced:	ClN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	248.082874
ΔH_f, kcal/mol:	34.72
Dipole, Da:	1.55
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations