Geometry & MOs

Info

ID:	210163
PubChem CID:	80769171
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	306.124739
ΔH_f, kcal/mol:	4.68
Dipole, Da:	2.33
IP(EA), eV:	-8.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-(4-ethoxyphenyl)-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2C(C)C)NC

DOS

IR

Vibrations