Geometry & MOs

Info

ID:	442339
PubChem CID:	135251420
Reduced:	NOC7H12 (1)
Stoich.:	ABC7D12 (1)
Weight, g/mol:	233.166787
ΔH_f, kcal/mol:	-44.04
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759310
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethyl(15N)amino)(613C)hexanoylamino](313C)propanoic acid

Drug info:

PubChemData

Smile

C[13C](=O)[15N+]1=CCCCC1

DOS

IR

Vibrations