Geometry & MOs

Info

ID:	144131
PubChem CID:	53318075
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	383.303559
ΔH_f, kcal/mol:	40.9
Dipole, Da:	3.99
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methyl-2-(2-oxohexadecanoylamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCN1C(=CN=C1N)C2=CC=CC=C2

DOS

IR

Vibrations