Geometry & MOs

Info

ID:	210358
PubChem CID:	80796253
Reduced:	ON8C10H16 (1)
Stoich.:	AB8C10D16 (1)
Weight, g/mol:	277.226646
ΔH_f, kcal/mol:	72.22
Dipole, Da:	6.12
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-tert-butylpiperazin-1-yl)-5-ethyl-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)N(C)CCOC)N2C=NC=N2

DOS

IR

Vibrations