Geometry & MOs

Info

ID:	159593
PubChem CID:	57288506
Reduced:	ClN2O4C20H31 (1)
Stoich.:	AB2C4D20E31 (1)
Weight, g/mol:	325.334465
ΔH_f, kcal/mol:	-199.46
Dipole, Da:	3.68
IP(EA), eV:	-9.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octan-2-yltridecanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)C([C@H](CC(C)C)N)O)NC(=O)OCC1=CC=CC=C1Cl

DOS

IR

Vibrations