Geometry & MOs

Info

ID:	389026
PubChem CID:	134990927
Reduced:	BrO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	272.214016
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	1.18
IP(EA), eV:	-9.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4S)-2-(2-methoxy-4,5-dimethylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CBr)O)C)OC=O

DOS

IR

Vibrations