Geometry & MOs

Info

ID:	423974
PubChem CID:	135120915
Reduced:	FN4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	9.05
Dipole, Da:	2.44
IP(EA), eV:	-8.58(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(3-methylpyridine-2-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC=C1F)NC2CCCC3=CC=CC=C23

DOS

IR

Vibrations