Geometry & MOs

Info

ID:	48142
PubChem CID:	10537436
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	230.03063
ΔH_f, kcal/mol:	19.34
Dipole, Da:	3.69
IP(EA), eV:	-9.12(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R,9R)-9-bromo-5-methoxybicyclo[4.2.1]non-2-ene

Drug info:

PubChemData

Smile

C1CC2C(=NC3=CC=CC=C3C(=O)N2C1)NN

DOS

IR

Vibrations