Geometry & MOs

Info

ID:	258907
PubChem CID:	103157395
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-159.32
Dipole, Da:	10.83
IP(EA), eV:	-9.71(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepane-2-carbonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1CNCC2=CC=CC=C12

DOS

IR

Vibrations