Geometry & MOs

Info

ID:	420420
PubChem CID:	135113044
Reduced:	N4O4C19H20 (1)
Stoich.:	A4B4C19D20 (1)
Weight, g/mol:	349.116152
ΔH_f, kcal/mol:	-32.06
Dipole, Da:	3.57
IP(EA), eV:	-9.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[2-(3,4-dimethoxyphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC(=NO2)CCNC3=NOC(=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations