Geometry & MOs

Info

ID:	441513
PubChem CID:	135235548
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	470.43351
ΔH_f, kcal/mol:	-137.51
Dipole, Da:	8.46
IP(EA), eV:	-9.31(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-decyltetradecanoic acid;pentanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@]2([C@H]([C@@H](N1)[C@@H](O2)N3C=C(C(=O)NC3=O)C)OCC4=CC=CC=C4)COCC5=CC=CC=C5

DOS

IR

Vibrations