Geometry & MOs

Info

ID:	294776
PubChem CID:	117490143
Reduced:	BrF2N2O2H7C10 (1)
Stoich.:	AB2C2D2E7F10 (1)
Weight, g/mol:	305.137556
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	3.18
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(3-amino-1,2-oxazol-5-yl)-2-methoxyphenyl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1F)Br)F)C2=NOC(=C2)N

DOS

IR

Vibrations