Geometry & MOs

Info

ID:	291495
PubChem CID:	112847757
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	360.206245
ΔH_f, kcal/mol:	-10.38
Dipole, Da:	6.15
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)C2=CC(=NC(=N2)C)N3CCCCCC3

DOS

IR

Vibrations