Geometry & MOs

Info

ID:

410142

PubChem CID:

135082933

Reduced:

ON2C11H13 (1)

Stoich.:

AB2C11D13 (1)

Weight, g/mol:

357.00006

ΔHf, kcal/mol:

11.77

Dipole, Da:

4.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.792907

Charge, e:

 0

Chem-info

IUPAC name:

(2-bromophenyl)-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2=CC(=C(C=C2CC1)O)[N+]#N

DOS

IR

Vibrations