Geometry & MOs

Info

ID:	422666
PubChem CID:	135118217
Reduced:	FN4O4C20H27 (1)
Stoich.:	AB4C4D20E27 (1)
Weight, g/mol:	344.062006
ΔH_f, kcal/mol:	-139.99
Dipole, Da:	2.36
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC)O

DOS

IR

Vibrations