Geometry & MOs

Info

ID:	250270
PubChem CID:	103095271
Reduced:	ON6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	282.01162
ΔH_f, kcal/mol:	62.23
Dipole, Da:	3.22
IP(EA), eV:	-8.95(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(O1)CNC2=C3C=NN(C3=NC=N2)C

DOS

IR

Vibrations