Geometry & MOs

Info

ID:	150099
PubChem CID:	53789785
Reduced:	NO6H33C36 (1)
Stoich.:	AB6C33D36 (1)
Weight, g/mol:	394.381081
ΔH_f, kcal/mol:	-157.75
Dipole, Da:	1.91
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-octyloctadec-9-enoic acid

Drug info:

PubChemData

Smile

CCCC[C@@](C1C2=CC=CC=C2C3=CC=CC=C13)(C(=O)O)N(C(=O)OC)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations