Geometry & MOs

Info

ID:	240857
PubChem CID:	93617815
Reduced:	N2O3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-161.38
Dipole, Da:	4.45
IP(EA), eV:	-9.71(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(azepane-1-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)O)NC(=O)N1CCCCCC1

DOS

IR

Vibrations