Geometry & MOs

Info

ID:	397548
PubChem CID:	135030372
Reduced:	O2N3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	452.344301
ΔH_f, kcal/mol:	59.36
Dipole, Da:	4.47
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E,10E,14E)-6,7,10,11,14,15-hexaethyl-3,18-dimethylideneicosa-6,10,14-trien-4,8,12,16-tetrayne

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C(=NC3=CC=CC=C3O2)OCC#N)CC#N

DOS

IR

Vibrations