Geometry & MOs

Info

ID:	303726
PubChem CID:	124490103
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	262.05684
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	3.21
IP(EA), eV:	-8.22(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-bromo-2-[(1R,3S)-3-methylcyclohexyl]acetate

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H]3[C@H](C[C@@H]4N3CCCC4)CC2=C1)OC

DOS

IR

Vibrations