Geometry & MOs

Info

ID:	382258
PubChem CID:	134973308
Reduced:	BrO4H13C17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-90.17
Dipole, Da:	4.01
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-3,7-dimethyl-2-phenyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)COC2=CC3=C(C=C2)OC(=O)C=C3

DOS

IR

Vibrations