Geometry & MOs

Info

ID:	361418
PubChem CID:	127303316
Reduced:	N7C13H21 (1)
Stoich.:	A7B13C21 (1)
Weight, g/mol:	326.221895
ΔH_f, kcal/mol:	93.62
Dipole, Da:	6.32
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NN=C2N1N=C(C=C2)NCC3CN(CCN3C)C

DOS

IR

Vibrations