Geometry & MOs

Info

ID:	421601
PubChem CID:	135116285
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	4.81
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(5-hydroxy-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)(COC)C(=O)N1C[C@H]([C@@H](C1)O)CC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations