Geometry & MOs

Info

ID:	51067
PubChem CID:	12013685
Reduced:	BrO2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	346.05684
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	2.61
IP(EA), eV:	-9.37(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,10R)-10-[(2S)-3-bromo-2-hydroxypropyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol

Drug info:

PubChemData

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C1[C@H]2[C@@H](C3=CC=CC=C3CC4=CC=CC=C24)OC1(CBr)O

DOS

IR

Vibrations