Geometry & MOs

Info

ID:	416584
PubChem CID:	135089732
Reduced:	O2F3N4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	6.77
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)(F)F

DOS

IR

Vibrations