Geometry & MOs

Info

ID:	29220
PubChem CID:	832398
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	255.89214
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	2.66
IP(EA), eV:	-8.94(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4R,6S)-3,4-dibromo-7-oxabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CC(=C[C@H]1[C@H](C1(C)C)C(=O)NCCC2=CC=CC=C2)C

DOS

IR

Vibrations