Geometry & MOs

Info

ID:	322762
PubChem CID:	126671044
Reduced:	FC8H15 (1)
Stoich.:	AB8C15 (1)
Weight, g/mol:	510.1015
ΔH_f, kcal/mol:	-85.37
Dipole, Da:	1.68
IP(EA), eV:	-10.66(3.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]-5-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)F

DOS

IR

Vibrations