Geometry & MOs

Info

ID:	125722
PubChem CID:	50935440
Reduced:	FN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	502.14672
ΔH_f, kcal/mol:	-63.51
Dipole, Da:	4.41
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R,5R,8R,9R)-4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl 4-bromo-1-ethylpyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CN1[C@@H]2CC[C@@H]1C=C(C2)N(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations