Geometry & MOs

Info

ID:	416024
PubChem CID:	135089029
Reduced:	O2N5C17H17 (1)
Stoich.:	A2B5C17D17 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	0.1
Dipole, Da:	11.5
IP(EA), eV:	-9.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-(6-ethyl-2-methylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC(=O)C2=CN3CCC4=C3C(=CC=C4)C2=O

DOS

IR

Vibrations