Geometry & MOs

Info

ID:	415766
PubChem CID:	135088766
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	320.100836
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	3.49
IP(EA), eV:	-9.19(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

COCCN1C=NN=C1CCNC(=O)[C@H]2CCCC[C@H]2C(=O)N3CCCC3

DOS

IR

Vibrations