Geometry & MOs

Info

ID:	416894
PubChem CID:	135090737
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	306.085186
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	5.36
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)CCCN4C=CC=N4)OC

DOS

IR

Vibrations