Geometry & MOs

Info

ID:	382659
PubChem CID:	134973939
Reduced:	O4C25H32 (1)
Stoich.:	A4B25C32 (1)
Weight, g/mol:	297.209264
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	4.79
IP(EA), eV:	-8.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E,7E,9E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-5,7,9-trienenitrile

Drug info:

PubChemData

Smile

CC1=C(/C(=C/C(C)CC/C=C(\C)/C=C/C=C(\C)/CCCC2=COC=C2)/OC1=O)O

DOS

IR

Vibrations