Geometry & MOs

Info

ID:	210835
PubChem CID:	80859478
Reduced:	BrON5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	38.97
Dipole, Da:	4.56
IP(EA), eV:	-9.14(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OC2=CC=CC=C2Br)N(C)C

DOS

IR

Vibrations