Geometry & MOs

Info

ID:	294271
PubChem CID:	117447261
Reduced:	BrF2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-126.47
Dipole, Da:	2.43
IP(EA), eV:	-9.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1F)F)C2(CC2)O)Br

DOS

IR

Vibrations