Geometry & MOs

Info

ID:	213915
PubChem CID:	81065546
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-121.71
Dipole, Da:	5.09
IP(EA), eV:	-8.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepane-1-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)NC1=CC=CC=C1

DOS

IR

Vibrations