Geometry & MOs

Info

ID:	444526
PubChem CID:	135262731
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-34.12
Dipole, Da:	3.22
IP(EA), eV:	-9.29(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-(2-pentylphenyl)penta-2,4-dienoic acid

Drug info:

PubChemData

Smile

CCCCCCC(=CC1=CC=CC=C1)/C=C(\C)/C(=O)NC

DOS

IR

Vibrations