Geometry & MOs

Info

ID:	422900
PubChem CID:	135118586
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	347.078071
ΔH_f, kcal/mol:	30.09
Dipole, Da:	5.99
IP(EA), eV:	-9.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)CN3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations