Geometry & MOs

Info

ID:	421579
PubChem CID:	135116255
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	7.03
IP(EA), eV:	-8.8(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(2-methoxy-5-methylbenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations