Geometry & MOs

Info

ID:	271294
PubChem CID:	103654206
Reduced:	BrON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	28.24
Dipole, Da:	4.19
IP(EA), eV:	-9.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromopyrimidin-2-yl)amino]-4-methylpentan-2-ol

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC2=NC=C(C=N2)Br)C

DOS

IR

Vibrations