Geometry & MOs

Info

ID:	377144
PubChem CID:	134223182
Reduced:	SN2H30C41 (1)
Stoich.:	AB2C30D41 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	183.42
Dipole, Da:	3.38
IP(EA), eV:	-8.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,6Z)-2-hexylnona-3,6-dienoic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C/CN1C2=CC=CC=C2C3=CC=CC=C31)\C4=CC=CC(=C4)C5=CC(=CC=C5)C6=NC=CC7=C6SC8=CC=CC=C78

DOS

IR

Vibrations