Geometry & MOs

Info

ID:	271293
PubChem CID:	103654153
Reduced:	BrFN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	282.01162
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	6.12
IP(EA), eV:	-9.67(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC(=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations