Geometry & MOs

Info

ID:	442327
PubChem CID:	135251363
Reduced:	NOC5H10 (2)
Stoich.:	ABC5D10 (2)
Weight, g/mol:	246.198422
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	5.28
IP(EA), eV:	-9.13(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetamido-N-(213C)ethyl-2-[methyl((113C)methyl)amino]hexan(15N)amide

Drug info:

PubChemData

Smile

CN(C)C(CCCCN[13C](=O)[13CH3])C=O

DOS

IR

Vibrations