Geometry & MOs

Info

ID:	397607
PubChem CID:	135030463
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	338.05176
ΔH_f, kcal/mol:	-102.25
Dipole, Da:	1.73
IP(EA), eV:	-10.02(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-3a-[(2-bromophenyl)methyl]-2,2-dimethyl-5,6,7,7a-tetrahydro-1,3-benzodioxol-4-one

Drug info:

PubChemData

Smile

C1CC2CC3CC1CC2(C3)C(=O)ON4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations