Geometry & MOs

Info

ID:	421529
PubChem CID:	135116168
Reduced:	NO5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	363.131802
ΔH_f, kcal/mol:	-177.74
Dipole, Da:	6.86
IP(EA), eV:	-10.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(3,4-diethoxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations