Geometry & MOs

Info

ID:	82878
PubChem CID:	49856737
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	379.144453
ΔH_f, kcal/mol:	32.92
Dipole, Da:	7.89
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5S)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2NCC3=CC=C(C=C3)C4=CC=CC=C4)CN1C5=NC=C(C=N5)C(=O)O

DOS

IR

Vibrations