Geometry & MOs

Info

ID:

317093

PubChem CID:

126632468

Reduced:

P3N5H72C116 (1)

Stoich.:

A3B5C72D116 (1)

Weight, g/mol:

264.0375

ΔHf, kcal/mol:

509.29

Dipole, Da:

3.9

IP(EA), eV:

 -8.15(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-iodopropyl)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC9=C(C=C8)N=C(N=C9C1=CC(=CC=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)P(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC(=CC=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)P(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations