Geometry & MOs

Info

ID:	190190
PubChem CID:	77965323
Reduced:	O3N5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	380.1001
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	3.65
IP(EA), eV:	-9.57(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclohexa-2,4-dien-1-yl-3-hept-5-enyl-1-iodocyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CN(C(=O)NCC1=CC=CC=C1)N2CC(=O)N3C2CN(C(=O)C3C4CCCC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations