Geometry & MOs

Info

ID:	240856
PubChem CID:	93617814
Reduced:	N3O4C9H15 (1)
Stoich.:	A3B4C9D15 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-184.38
Dipole, Da:	5.85
IP(EA), eV:	-10.2(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)O)C(=O)NCC(=O)N

DOS

IR

Vibrations