Geometry & MOs

Info

ID:	372706
PubChem CID:	131302943
Reduced:	N2O2C9H14 (1)
Stoich.:	A2B2C9D14 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-71.64
Dipole, Da:	3.41
IP(EA), eV:	-9.4(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-cyano-1-methylazepane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CCNC[C@H]1C#N

DOS

IR

Vibrations