Geometry & MOs

Info

ID:	150528
PubChem CID:	53790221
Reduced:	O4N5F7C30H36 (1)
Stoich.:	A4B5C7D30E36 (1)
Weight, g/mol:	364.04742
ΔH_f, kcal/mol:	-446.38
Dipole, Da:	2.47
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@](N(CCO2)C3=NNN=C3C(CCOC)(CCOC)N)(C)C4=CC=C(C=C4)F

DOS

IR

Vibrations