Geometry & MOs

Info

ID:	318930
PubChem CID:	126653761
Reduced:	FO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	3.25
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)OCCOC

DOS

IR

Vibrations