Geometry & MOs

Info

ID:	407954
PubChem CID:	135080709
Reduced:	N3O5C7H13 (1)
Stoich.:	A3B5C7D13 (1)
Weight, g/mol:	227.97859
ΔH_f, kcal/mol:	-163.72
Dipole, Da:	7.26
IP(EA), eV:	-9.95(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-bromophenyl)-1-hydroxypropan-2-one

Drug info:

PubChemData

Smile

C1C(O[C@](C(C1O)O)(CO)O)CN=[N+]=[N-]

DOS

IR

Vibrations