Geometry & MOs

Info

ID:	418241
PubChem CID:	135103931
Reduced:	FO3N4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	343.066757
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	6.52
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[4-(trifluoromethyl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1CCCC1CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations