Geometry & MOs

Info

ID:	421680
PubChem CID:	135116416
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-39.18
Dipole, Da:	5.74
IP(EA), eV:	-8.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations