Geometry & MOs

Info

ID:	216695
PubChem CID:	85086626
Reduced:	ClOF2N2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	292.99128
ΔH_f, kcal/mol:	-154.74
Dipole, Da:	5.71
IP(EA), eV:	-9.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-4-nitrotricyclo[4.2.1.03,7]nonane

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)N2CCOC(C2)CN.Cl

DOS

IR

Vibrations