Geometry & MOs

Info

ID:	399523
PubChem CID:	135040732
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	269.02227
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	4.26
IP(EA), eV:	-9.94(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane

Drug info:

PubChemData

Smile

C=C1CC23CC[C@H](C[C@H]2C(=O)CC1C3)O

DOS

IR

Vibrations