Geometry & MOs

Info

ID:	293991
PubChem CID:	117421351
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-176.87
Dipole, Da:	2.5
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid

Drug info:

PubChemData

Smile

COCC1=C2C(=C(C=C1)C(CCC(=O)O)N)OCO2

DOS

IR

Vibrations