Geometry & MOs

Info

ID:	25470
PubChem CID:	625406
Reduced:	IN2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	285.9967
ΔH_f, kcal/mol:	58.83
Dipole, Da:	2.35
IP(EA), eV:	-9.12(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

C1CN2CCN1C3=C2C=C(C=C3)I

DOS

IR

Vibrations