Geometry & MOs

Info

ID:	51068
PubChem CID:	12013687
Reduced:	BrO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	5.03
IP(EA), eV:	-9.52(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C1C2=CC=CC=C2[C@H]([C@@H](C3=CC=CC=C31)O)C[C@@H](CBr)O

DOS

IR

Vibrations