Geometry & MOs

Info

ID:	248503
PubChem CID:	103082179
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-114.17
Dipole, Da:	1.57
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[methyl(propan-2-yl)carbamoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=C(C=CC=N2)C(=O)OC

DOS

IR

Vibrations