Geometry & MOs

Info

ID:	307932
PubChem CID:	125310787
Reduced:	O14C25H32 (1)
Stoich.:	A14B25C32 (1)
Weight, g/mol:	509.96128
ΔH_f, kcal/mol:	-614.23
Dipole, Da:	4.74
IP(EA), eV:	-9.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3,5-bis[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methyl-1,4-dihydropyrazole

Drug info:

PubChemData

Smile

CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@H]3[C@@H](C=CO2)[C@H](C=C3COC(=O)C)OC(=O)C)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations