Geometry & MOs

Info

ID:	210155
PubChem CID:	80768953
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	276.137497
ΔH_f, kcal/mol:	-52.74
Dipole, Da:	3.79
IP(EA), eV:	-8.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-benzylphenyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)NC2=C(C=CC(=C2)OC)OC)N

DOS

IR

Vibrations