Geometry & MOs

Info

ID:	210826
PubChem CID:	80858975
Reduced:	BrON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-38.31
Dipole, Da:	3.93
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(2-ethylcyclohexyl)oxy-2,5-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1CCCCC1OC2=NC(=NC=C2Br)NCC

DOS

IR

Vibrations