Geometry & MOs

Info

ID:	186307
PubChem CID:	77417894
Reduced:	F3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-253.37
Dipole, Da:	3.04
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-amino-6-methylindazol-1-yl)pyridin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC(=C2)C(CC(C)C)C(=O)O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations