Geometry & MOs

Info

ID:	148188
PubChem CID:	53787850
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	346.11575
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	6.49
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-iodo-2,6,10-trimethyltrideca-2,6,10-triene

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)CC=CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations