Geometry & MOs

Info

ID:	184861
PubChem CID:	77221432
Reduced:	O12C13H26 (1)
Stoich.:	A12B13C26 (1)
Weight, g/mol:	529.248918
ΔH_f, kcal/mol:	-552.3
Dipole, Da:	6.8
IP(EA), eV:	-10.11(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,3-dimethyl-1-[5-(6-methyl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxobutan-2-yl]-7-fluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OCC(C(C(C(C(CO)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations