Geometry & MOs

Info

ID:	400095
PubChem CID:	135045388
Reduced:	NC12H13 (1)
Stoich.:	AB12C13 (1)
Weight, g/mol:	242.107358
ΔH_f, kcal/mol:	49.95
Dipole, Da:	1.47
IP(EA), eV:	-9.16(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-5-(1-chloro-2-methylpropan-2-yl)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C=CC=C[C@@H]2N

DOS

IR

Vibrations