Geometry & MOs

Info

ID:	420889
PubChem CID:	135114993
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	309.101251
ΔH_f, kcal/mol:	15.37
Dipole, Da:	3.89
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(4-fluoro-2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=NOC(=N2)C3=CC=CO3)OCC4=CC=CC=N4

DOS

IR

Vibrations